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

C9H14N2O2 — CID 130669877

IUPACN,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C)on1
InChIInChI=1S/C9H14N2O2/c1-6(2)7-5-8(13-10-7)9(12)11(3)4/h5-6H,1-4H3
InChIKeyIFZIRJTYRKLTDS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.50
Rot. Bonds2

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

N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 130669877) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID130669877
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C)on1
InChIInChI=1S/C9H14N2O2/c1-6(2)7-5-8(13-10-7)9(12)11(3)4/h5-6H,1-4H3
InChIKeyIFZIRJTYRKLTDS-UHFFFAOYSA-N
XLogP1.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
(3-Cyclopentyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
CID 84585218
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
3-propan-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 153635940
N-[[(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 153635953
N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 20868344
N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 51077165
1-[(3-Isopropylisoxazol-5-yl)methyl]-4-(methoxyacetyl)-1,4-diazepane
CID 56867826

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 130669877) is N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N(C)C)on1.
What is the InChIKey of N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is IFZIRJTYRKLTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)7-5-8(13-10-7)9(12)11(3)4/h5-6H,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 130669877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).