2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide

C9H14N2O2 — CID 89025035

IUPAC2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-4-8-10-5-7(13-8)9(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyYHHMKOQCIGMMJZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

About 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide

2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 89025035) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID89025035
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)C)o1
InChIInChI=1S/C9H14N2O2/c1-4-8-10-5-7(13-8)9(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyYHHMKOQCIGMMJZ-UHFFFAOYSA-N
XLogP1.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazole-5-carboxamide
CID 22318809
tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 91756824
N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-1,3-oxazole-5-carboxamide
CID 90650033
2-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 91132062
2-(Difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330037
2-(Fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330366
2-(2,2,2-Trifluoroethyl)-1,3-oxazole-5-carboxamide
CID 176266476
N-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole-5-carboxamide
CID 127000366
N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
CID 130626728
N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130666663
N-[(2S)-1-fluoropropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 130681724
N-(1-fluoropropan-2-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 131067354

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide (CID 89025035) is 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide is CCc1ncc(C(=O)NC(C)C)o1.
What is the InChIKey of 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is YHHMKOQCIGMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8-10-5-7(13-8)9(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide?
2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 89025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).