N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide

C15H18N2O2 — CID 100772034

IUPACN-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11(2)8-9-16-15(18)13-10-19-17-14(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyJOZJTRGRWONPKI-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.12
Rot. Bonds5

About N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide

N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 100772034) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID100772034
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11(2)8-9-16-15(18)13-10-19-17-14(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyJOZJTRGRWONPKI-UHFFFAOYSA-N
XLogP3.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 100771698
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159027
2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 91822166
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771614
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 100772034) is N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide is CC(C)CCNC(=O)c1conc1-c1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JOZJTRGRWONPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)8-9-16-15(18)13-10-19-17-14(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100772034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).