2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol

C24H27F2N5O3 — CID 67816025

IUPAC2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
SMILESCOCCC(C)Nc1nc2ccc(-c3[nH]c(C(C)(C)CO)nc3-c3ccc(F)cc3F)nc2o1
InChIInChI=1S/C24H27F2N5O3/c1-13(9-10-33-4)27-23-29-18-8-7-17(28-21(18)34-23)20-19(15-6-5-14(25)11-16(15)26)30-22(31-20)24(2,3)12-32/h5-8,11,13,32H,9-10,12H2,1-4H3,(H,27,29)(H,30,31)
InChIKeyXOTBZLSRXJRYJS-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.66
Rot. Bonds9

About 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol

2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 67816025) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID67816025
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
SMILESCOCCC(C)Nc1nc2ccc(-c3[nH]c(C(C)(C)CO)nc3-c3ccc(F)cc3F)nc2o1
InChIInChI=1S/C24H27F2N5O3/c1-13(9-10-33-4)27-23-29-18-8-7-17(28-21(18)34-23)20-19(15-6-5-14(25)11-16(15)26)30-22(31-20)24(2,3)12-32/h5-8,11,13,32H,9-10,12H2,1-4H3,(H,27,29)(H,30,31)
InChIKeyXOTBZLSRXJRYJS-UHFFFAOYSA-N
XLogP4.66
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-N,N-dimethylimidazo[4,5-b]pyridine-3-sulfonamide;methanesulfonic acid
CID 87616648
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83834399
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 63675448
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
6-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42884611
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol (CID 67816025) is 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol is COCCC(C)Nc1nc2ccc(-c3[nH]c(C(C)(C)CO)nc3-c3ccc(F)cc3F)nc2o1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is XOTBZLSRXJRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-13(9-10-33-4)27-23-29-18-8-7-17(28-21(18)34-23)20-19(15-6-5-14(25)11-16(15)26)30-22(31-20)24(2,3)12-32/h5-8,11,13,32H,9-10,12H2,1-4H3,(H,27,29)(H,30,31).
What are the key properties of 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol?
2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 471.51 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-5-[2-(4-methoxybutan-2-ylamino)-[1,3]oxazolo[5,4-b]pyridin-5-yl]-1H-imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 67816025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).