2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

C13H17N3O3 — CID 810603

IUPAC2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N(Cc1nc(C(=O)NC2CC2)co1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-8(17)16(10-4-5-10)6-12-15-11(7-19-12)13(18)14-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,14,18)
InChIKeyYXBJLUNWJHMQGS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds5

About 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 810603) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID810603
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N(Cc1nc(C(=O)NC2CC2)co1)C1CC1
InChIInChI=1S/C13H17N3O3/c1-8(17)16(10-4-5-10)6-12-15-11(7-19-12)13(18)14-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,14,18)
InChIKeyYXBJLUNWJHMQGS-UHFFFAOYSA-N
XLogP1.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 7225997
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7415529
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766369
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42830812
2-[[benzyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42833545
N-cyclopropyl-2-[[(3-fluorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833733
2-[[[(2R)-butan-2-yl]-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 93157924
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
CID 138692159

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide (CID 810603) is 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is CC(=O)N(Cc1nc(C(=O)NC2CC2)co1)C1CC1.
What is the InChIKey of 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is YXBJLUNWJHMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(17)16(10-4-5-10)6-12-15-11(7-19-12)13(18)14-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,14,18).
What are the key properties of 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide?
2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 810603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).