1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

C14H20N2O4 — CID 115443407

IUPAC1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCc1oncc1C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H20N2O4/c1-10-11(8-16-20-10)12(17)15-9-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyVAIKBAPCAGHKCB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.14
Rot. Bonds4

About 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115443407) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID115443407
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCc1oncc1C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H20N2O4/c1-10-11(8-16-20-10)12(17)15-9-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyVAIKBAPCAGHKCB-UHFFFAOYSA-N
XLogP2.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72719907
1-[[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543649
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310740

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid (CID 115443407) is 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is Cc1oncc1C(=O)NCC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is VAIKBAPCAGHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-11(8-16-20-10)12(17)15-9-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115443407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).