N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C21H23N5O3 — CID 90634871

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-13-10-14(2)24-21(23-13)28-17-7-5-16(6-8-17)25-20(27)18-11-19(29-26-18)15-4-3-9-22-12-15/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,25,27)
InChIKeyHNQYBTZMCZALPT-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.26
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 90634871) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID90634871
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)n1
InChIInChI=1S/C21H23N5O3/c1-13-10-14(2)24-21(23-13)28-17-7-5-16(6-8-17)25-20(27)18-11-19(29-26-18)15-4-3-9-22-12-15/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,25,27)
InChIKeyHNQYBTZMCZALPT-UHFFFAOYSA-N
XLogP3.26
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119458588
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122302827
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 90634871) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HNQYBTZMCZALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-10-14(2)24-21(23-13)28-17-7-5-16(6-8-17)25-20(27)18-11-19(29-26-18)15-4-3-9-22-12-15/h3-4,9-12,16-17H,5-8H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90634871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).