5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

C30H36F2N6O4 — CID 166021647

IUPAC5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(C(C)(C)NC(=O)CC2(NC(=O)c3cc(-c4ccc(F)cc4F)on3)CN(C3CCC(C)(O)CC3)C2)n1
InChIInChI=1S/C30H36F2N6O4/c1-18-9-12-33-27(34-18)28(2,3)35-25(39)15-30(16-38(17-30)20-7-10-29(4,41)11-8-20)36-26(40)23-14-24(42-37-23)21-6-5-19(31)13-22(21)32/h5-6,9,12-14,20,41H,7-8,10-11,15-17H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyMAJYQCQZWIKGOK-UHFFFAOYSA-N
MW582.65 g/mol
LogP3.64
Rot. Bonds8

About 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 166021647) has the molecular formula C30H36F2N6O4 and a molecular weight of 582.65 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID166021647
Molecular FormulaC30H36F2N6O4
Molecular Weight582.65 g/mol
Exact Mass582.28
IUPAC Name5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(C(C)(C)NC(=O)CC2(NC(=O)c3cc(-c4ccc(F)cc4F)on3)CN(C3CCC(C)(O)CC3)C2)n1
InChIInChI=1S/C30H36F2N6O4/c1-18-9-12-33-27(34-18)28(2,3)35-25(39)15-30(16-38(17-30)20-7-10-29(4,41)11-8-20)36-26(40)23-14-24(42-37-23)21-6-5-19(31)13-22(21)32/h5-6,9,12-14,20,41H,7-8,10-11,15-17H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyMAJYQCQZWIKGOK-UHFFFAOYSA-N
XLogP3.64
TPSA133.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.65
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 166021587
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-methyl-4-(4-methylpyrimidin-2-yl)pentan-2-one
CID 167668608
methyl 2-[1-cyclohexyl-3-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]azetidin-3-yl]acetate
CID 166021594
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(2-fluorophenyl)-4-methylpentan-2-one
CID 167612764
N-[3-[2-[2-(3-chlorophenyl)propan-2-ylamino]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-5-(2,4-difluorophenyl)-1,3-thiazole-2-carboxamide
CID 166021611
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-methyl-4-pyridin-4-ylpentan-2-one
CID 167630053
N-[1-cyclohexyl-3-[2-oxo-3-[2-[2-(trifluoromethyl)phenyl]propan-2-ylamino]propyl]azetidin-3-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 166086807
5-(2,4-difluorophenyl)-N-[1-(2-methylpropyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 166021578
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(4-methoxyphenyl)-4-methylpentan-2-one
CID 167628811
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-one
CID 167540203
(E)-N-[3-[2-[2-(3-chlorophenyl)propan-2-ylamino]-2-oxoethyl]-1-(4-hydroxy-4-methylcyclohexyl)azetidin-3-yl]-4-(2,4-difluorophenyl)-2-methyl-4-methyliminobut-2-enamide;ethane
CID 166086889
1-[3-[2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-2-oxoethyl]-1-(2-oxaspiro[3.5]nonan-7-yl)azetidin-3-yl]-4-methyl-4-pyridin-2-ylpentan-2-one
CID 167679271

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (CID 166021647) is 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccnc(C(C)(C)NC(=O)CC2(NC(=O)c3cc(-c4ccc(F)cc4F)on3)CN(C3CCC(C)(O)CC3)C2)n1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is MAJYQCQZWIKGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N6O4/c1-18-9-12-33-27(34-18)28(2,3)35-25(39)15-30(16-38(17-30)20-7-10-29(4,41)11-8-20)36-26(40)23-14-24(42-37-23)21-6-5-19(31)13-22(21)32/h5-6,9,12-14,20,41H,7-8,10-11,15-17H2,1-4H3,(H,35,39)(H,36,40).
What are the key properties of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?
5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 582.65 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-[2-(4-methylpyrimidin-2-yl)propan-2-ylamino]-2-oxoethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166021647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).