N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C16H20N2O2 — CID 122175374

IUPACN-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C16H20N2O2/c1-4-5-9-17-15(19)14-12(3)20-16(18-14)13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyDDGSTSLKYWGSIR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.49
Rot. Bonds5

About N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 122175374) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID122175374
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C16H20N2O2/c1-4-5-9-17-15(19)14-12(3)20-16(18-14)13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyDDGSTSLKYWGSIR-UHFFFAOYSA-N
XLogP3.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359
N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 53382909
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916826
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110419474
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 122175374) is N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(-c2cccc(C)c2)oc1C.
What is the InChIKey of N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DDGSTSLKYWGSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-5-9-17-15(19)14-12(3)20-16(18-14)13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122175374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).