N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C13H19N3O3 — CID 31364787

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H19N3O3/c1-3-10-11(8(2)19-16-10)13(18)15-7-6-14-12(17)9-4-5-9/h9H,3-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyQEQABEAPTJARNI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds6

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 31364787) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID31364787
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H19N3O3/c1-3-10-11(8(2)19-16-10)13(18)15-7-6-14-12(17)9-4-5-9/h9H,3-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyQEQABEAPTJARNI-UHFFFAOYSA-N
XLogP0.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 75681402
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51594189
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059
3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
CID 74244514
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 96996290
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 31364787) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QEQABEAPTJARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10-11(8(2)19-16-10)13(18)15-7-6-14-12(17)9-4-5-9/h9H,3-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 31364787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).