1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid

C15H22N2O4 — CID 120538586

IUPAC1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)on1
InChIInChI=1S/C15H22N2O4/c1-10(2)11-9-12(21-17-11)13(18)16-15(14(19)20)7-5-3-4-6-8-15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCRPIGPLOALFGL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.71
Rot. Bonds4

About 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120538586) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120538586
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)on1
InChIInChI=1S/C15H22N2O4/c1-10(2)11-9-12(21-17-11)13(18)16-15(14(19)20)7-5-3-4-6-8-15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCRPIGPLOALFGL-UHFFFAOYSA-N
XLogP2.71
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 166277162
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539118
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960
1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402967
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119251722
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
1-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56811893
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70727741

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 120538586) is 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid is CC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)on1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is YCRPIGPLOALFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)11-9-12(21-17-11)13(18)16-15(14(19)20)7-5-3-4-6-8-15/h9-10H,3-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).