N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine

C18H18N2O — CID 54228518

IUPACN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyQHOAWKSXZVHQBC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.29
Rot. Bonds4

About N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine

N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 54228518) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID54228518
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyQHOAWKSXZVHQBC-UHFFFAOYSA-N
XLogP4.29
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825026
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
4-methyl-5-[[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyldisulfanyl]methyl]-2-phenyl-1,3-oxazole
CID 54022373
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46894651
4-[5-[benzyl(methyl)amino]-[1,3]oxazolo[5,4-b]pyridin-2-yl]benzonitrile
CID 71264746
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
N-benzyl-2-(4-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine;5-chloro-2-(4-chlorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 157162551
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine (CID 54228518) is N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine is Cc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is QHOAWKSXZVHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 54228518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).