N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine

C18H18N2O — CID 171986494

IUPACN-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-17(14(2)21-20-13)19-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,1-2H3
InChIKeyCEQKSBJRZSYXKO-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.49
Rot. Bonds4

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

N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine (PubChem CID 171986494) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
PubChem CID171986494
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
SMILESCc1noc(C)c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-17(14(2)21-20-13)19-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,1-2H3
InChIKeyCEQKSBJRZSYXKO-UHFFFAOYSA-N
XLogP4.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine?
The IUPAC name of N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine (CID 171986494) is N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine.
What is the SMILES notation for N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine?
The canonical SMILES for N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine is Cc1noc(C)c1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine?
The InChIKey is CEQKSBJRZSYXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-17(14(2)21-20-13)19-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,1-2H3.
What are the key properties of N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine?
N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine has a molecular weight of 278.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 171986494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).