3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide

C11H18N2O2 — CID 60667713

IUPAC3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-6-12-11(14)9-8(4)13-15-10(9)7(2)3/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXUUGRZPTMUFAR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 60667713) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID60667713
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-6-12-11(14)9-8(4)13-15-10(9)7(2)3/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXUUGRZPTMUFAR-UHFFFAOYSA-N
XLogP2.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 66173602
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 95593417
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607555
N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607236
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide (CID 60667713) is 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide is CCCNC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is TXUUGRZPTMUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-12-11(14)9-8(4)13-15-10(9)7(2)3/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60667713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).