2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid

C11H16N2O3 — CID 142212198

IUPAC2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC1(c2nc(C(=O)O)co2)CCCCNC1
InChIInChI=1S/C11H16N2O3/c1-11(4-2-3-5-12-7-11)10-13-8(6-16-10)9(14)15/h6,12H,2-5,7H2,1H3,(H,14,15)
InChIKeyWQIXRHFFMDIBOR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.40
Rot. Bonds2

About 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid

2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 142212198) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID142212198
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC1(c2nc(C(=O)O)co2)CCCCNC1
InChIInChI=1S/C11H16N2O3/c1-11(4-2-3-5-12-7-11)10-13-8(6-16-10)9(14)15/h6,12H,2-5,7H2,1H3,(H,14,15)
InChIKeyWQIXRHFFMDIBOR-UHFFFAOYSA-N
XLogP1.40
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 115028323
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde
CID 115015383
2-[2-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115048465
2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
CID 131187454
4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole
CID 114765029
5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 63145065
2-[2-(3-methylthiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115036185
methyl 2-(1-bromocyclohexyl)-1,3-oxazole-4-carboxylate
CID 15778000
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746
3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495654
2-(1-methylcyclopentyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358454

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid (CID 142212198) is 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid is CC1(c2nc(C(=O)O)co2)CCCCNC1.
What is the InChIKey of 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WQIXRHFFMDIBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(4-2-3-5-12-7-11)10-13-8(6-16-10)9(14)15/h6,12H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid?
2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazepan-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 142212198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).