N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C27H29N3O3 — CID 159250793

IUPACN-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc([C@H](NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C27H29N3O3/c31-26(28-22-12-5-2-6-13-22)21-11-7-10-20(16-21)25(19-8-3-1-4-9-19)29-27(32)23-17-24(33-30-23)18-14-15-18/h2,5-7,10-13,16-19,25H,1,3-4,8-9,14-15H2,(H,28,31)(H,29,32)/t25-/m1/s1
InChIKeyLXCYDHIUOGXGAM-RUZDIDTESA-N
MW443.55 g/mol
LogP5.86
Rot. Bonds7

About N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 159250793) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID159250793
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc([C@H](NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C27H29N3O3/c31-26(28-22-12-5-2-6-13-22)21-11-7-10-20(16-21)25(19-8-3-1-4-9-19)29-27(32)23-17-24(33-30-23)18-14-15-18/h2,5-7,10-13,16-19,25H,1,3-4,8-9,14-15H2,(H,28,31)(H,29,32)/t25-/m1/s1
InChIKeyLXCYDHIUOGXGAM-RUZDIDTESA-N
XLogP5.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 159250793) is N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1)c1cccc([C@H](NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.
What is the InChIKey of N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is LXCYDHIUOGXGAM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29N3O3/c31-26(28-22-12-5-2-6-13-22)21-11-7-10-20(16-21)25(19-8-3-1-4-9-19)29-27(32)23-17-24(33-30-23)18-14-15-18/h2,5-7,10-13,16-19,25H,1,3-4,8-9,14-15H2,(H,28,31)(H,29,32)/t25-/m1/s1.
What are the key properties of N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159250793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).