N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine

C15H15N3O — CID 63120269

IUPACN'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
SMILESNC(CNc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H15N3O/c16-12(11-6-2-1-3-7-11)10-17-15-18-13-8-4-5-9-14(13)19-15/h1-9,12H,10,16H2,(H,17,18)
InChIKeyUFGSIPPBGGCIMU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.94
Rot. Bonds4

About N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine

N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 63120269) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
PubChem CID63120269
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
SMILESNC(CNc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H15N3O/c16-12(11-6-2-1-3-7-11)10-17-15-18-13-8-4-5-9-14(13)19-15/h1-9,12H,10,16H2,(H,17,18)
InChIKeyUFGSIPPBGGCIMU-UHFFFAOYSA-N
XLogP2.94
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
CID 51086727
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine (CID 63120269) is N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine is NC(CNc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is UFGSIPPBGGCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12(11-6-2-1-3-7-11)10-17-15-18-13-8-4-5-9-14(13)19-15/h1-9,12H,10,16H2,(H,17,18).
What are the key properties of N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine?
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63120269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).