N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C27H29N5O5 — CID 151661173

IUPACN-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(NC(=O)c5cc(C)on5)cccc43)CC2)ccc1C
InChIInChI=1S/C27H29N5O5/c1-15-7-10-18(14-23(15)36-3)28-25(33)17-8-11-19(12-9-17)32-22-6-4-5-20(24(22)30-27(32)35)29-26(34)21-13-16(2)37-31-21/h4-7,10,13-14,17,19H,8-9,11-12H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyQWOKWDJEHCMACA-UHFFFAOYSA-N
MW503.56 g/mol
LogP4.57
Rot. Bonds6

About N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 151661173) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID151661173
Molecular FormulaC27H29N5O5
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC NameN-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(NC(=O)c5cc(C)on5)cccc43)CC2)ccc1C
InChIInChI=1S/C27H29N5O5/c1-15-7-10-18(14-23(15)36-3)28-25(33)17-8-11-19(12-9-17)32-22-6-4-5-20(24(22)30-27(32)35)29-26(34)21-13-16(2)37-31-21/h4-7,10,13-14,17,19H,8-9,11-12H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyQWOKWDJEHCMACA-UHFFFAOYSA-N
XLogP4.57
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 151661173) is N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(NC(=O)c5cc(C)on5)cccc43)CC2)ccc1C.
What is the InChIKey of N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QWOKWDJEHCMACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5/c1-15-7-10-18(14-23(15)36-3)28-25(33)17-8-11-19(12-9-17)32-22-6-4-5-20(24(22)30-27(32)35)29-26(34)21-13-16(2)37-31-21/h4-7,10,13-14,17,19H,8-9,11-12H2,1-3H3,(H,28,33)(H,29,34)(H,30,35).
What are the key properties of N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 151661173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).