N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide

C14H21N3O3 — CID 4087473

IUPACN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C14H21N3O3/c1-10(2)5-7-17(14(19)11-3-4-11)9-13(18)15-12-6-8-20-16-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,16,18)
InChIKeyUBRANJZBCNZAJN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.90
Rot. Bonds7

About N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide

N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 4087473) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID4087473
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C14H21N3O3/c1-10(2)5-7-17(14(19)11-3-4-11)9-13(18)15-12-6-8-20-16-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,16,18)
InChIKeyUBRANJZBCNZAJN-UHFFFAOYSA-N
XLogP1.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769178
N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
CID 3531170
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 4087473) is N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide is CC(C)CCN(CC(=O)Nc1ccon1)C(=O)C1CC1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is UBRANJZBCNZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)5-7-17(14(19)11-3-4-11)9-13(18)15-12-6-8-20-16-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,16,18).
What are the key properties of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 4087473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).