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

C8H12N2O2 — CID 59232393

IUPACN-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-4-6(10-12-7)8(11)9-3/h4-5H,1-3H3,(H,9,11)
InChIKeyDJSPAQCVJXCUPQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.16
Rot. Bonds2

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

N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 59232393) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID59232393
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-4-6(10-12-7)8(11)9-3/h4-5H,1-3H3,(H,9,11)
InChIKeyDJSPAQCVJXCUPQ-UHFFFAOYSA-N
XLogP1.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 75514521
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70705029
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 96571087
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
N-[(1R,2S)-2-cyclohexylcyclopropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124591295
N-[1-(3,4-dihydroxyphenyl)propan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86798513
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 59232393) is N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is CNC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DJSPAQCVJXCUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)7-4-6(10-12-7)8(11)9-3/h4-5H,1-3H3,(H,9,11).
What are the key properties of N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59232393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).