N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide

C20H25N3O4 — CID 167827445

IUPACN-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
SMILESCC1(CC(=O)NC2CCCC(NC(=O)c3cccc4[nH]c(=O)oc34)C2)CC1
InChIInChI=1S/C20H25N3O4/c1-20(8-9-20)11-16(24)21-12-4-2-5-13(10-12)22-18(25)14-6-3-7-15-17(14)27-19(26)23-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVNVULGNCYWXRBY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.47
Rot. Bonds5

About N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide

N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide (PubChem CID 167827445) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
PubChem CID167827445
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
SMILESCC1(CC(=O)NC2CCCC(NC(=O)c3cccc4[nH]c(=O)oc34)C2)CC1
InChIInChI=1S/C20H25N3O4/c1-20(8-9-20)11-16(24)21-12-4-2-5-13(10-12)22-18(25)14-6-3-7-15-17(14)27-19(26)23-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVNVULGNCYWXRBY-UHFFFAOYSA-N
XLogP2.47
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1R,3R)-3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]cyclohexyl]-1-benzofuran-7-carboxamide
CID 146038447
7-[3-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 126810896
N-cyclobutyl-2-hydroxy-3-methylbenzamide
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1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
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CID 72548098
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
CID 92604271
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide (CID 167827445) is N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide is CC1(CC(=O)NC2CCCC(NC(=O)c3cccc4[nH]c(=O)oc34)C2)CC1.
What is the InChIKey of N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
The InChIKey is VNVULGNCYWXRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(8-9-20)11-16(24)21-12-4-2-5-13(10-12)22-18(25)14-6-3-7-15-17(14)27-19(26)23-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide?
N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methylcyclopropyl)acetyl]amino]cyclohexyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 167827445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).