N-benzhydryl-1,3-benzoxazol-2-amine

C20H16N2O — CID 24632077

IUPACN-benzhydryl-1,3-benzoxazol-2-amine
SMILESc1ccc(C(Nc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-20-21-17-13-7-8-14-18(17)23-20/h1-14,19H,(H,21,22)
InChIKeyDRBFDVPDSBXOMP-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.03
Rot. Bonds4

About N-benzhydryl-1,3-benzoxazol-2-amine

N-benzhydryl-1,3-benzoxazol-2-amine (PubChem CID 24632077) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is N-benzhydryl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-benzhydryl-1,3-benzoxazol-2-amine
PubChem CID24632077
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC NameN-benzhydryl-1,3-benzoxazol-2-amine
SMILESc1ccc(C(Nc2nc3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-20-21-17-13-7-8-14-18(17)23-20/h1-14,19H,(H,21,22)
InChIKeyDRBFDVPDSBXOMP-UHFFFAOYSA-N
XLogP5.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
CID 62111311
(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
CID 94546889
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
(2R)-2-(1,3-benzoxazol-2-ylamino)butanedioic acid
CID 167988946
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
2-(1,3-benzoxazol-2-ylamino)hexanoic acid
CID 54895714
2-(1,3-benzoxazol-2-ylamino)-2-(4-fluorophenyl)acetamide
CID 133476335
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,3-benzoxazol-2-amine?
The IUPAC name of N-benzhydryl-1,3-benzoxazol-2-amine (CID 24632077) is N-benzhydryl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-benzhydryl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-benzhydryl-1,3-benzoxazol-2-amine is c1ccc(C(Nc2nc3ccccc3o2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1,3-benzoxazol-2-amine?
The InChIKey is DRBFDVPDSBXOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-20-21-17-13-7-8-14-18(17)23-20/h1-14,19H,(H,21,22).
What are the key properties of N-benzhydryl-1,3-benzoxazol-2-amine?
N-benzhydryl-1,3-benzoxazol-2-amine has a molecular weight of 300.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24632077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).