3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C13H18N2O4 — CID 107369445

IUPAC3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CCN(C(=O)c1cc(C(=O)O)on1)C1CC1
InChIInChI=1S/C13H18N2O4/c1-8(2)5-6-15(9-3-4-9)12(16)10-7-11(13(17)18)19-14-10/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyMIPKBEUFXRBZHC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds6

About 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369445) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369445
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CCN(C(=O)c1cc(C(=O)O)on1)C1CC1
InChIInChI=1S/C13H18N2O4/c1-8(2)5-6-15(9-3-4-9)12(16)10-7-11(13(17)18)19-14-10/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyMIPKBEUFXRBZHC-UHFFFAOYSA-N
XLogP2.02
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
N-cyclopropyl-5-hydroxy-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63860319
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
6-amino-N-cyclopropyl-N-(3-methylbutyl)pyridine-2-carboxamide;hydrochloride
CID 119999003
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370004
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369445) is 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(C)CCN(C(=O)c1cc(C(=O)O)on1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is MIPKBEUFXRBZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)5-6-15(9-3-4-9)12(16)10-7-11(13(17)18)19-14-10/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).