N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine

C14H13N3O — CID 47184699

IUPACN-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESc1cncc(CCNc2nc3ccccc3o2)c1
InChIInChI=1S/C14H13N3O/c1-2-6-13-12(5-1)17-14(18-13)16-9-7-11-4-3-8-15-10-11/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeyBJQZGYPJGXLBSF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine

N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine (PubChem CID 47184699) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine
PubChem CID47184699
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESc1cncc(CCNc2nc3ccccc3o2)c1
InChIInChI=1S/C14H13N3O/c1-2-6-13-12(5-1)17-14(18-13)16-9-7-11-4-3-8-15-10-11/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeyBJQZGYPJGXLBSF-UHFFFAOYSA-N
XLogP2.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(4-chlorobutyl)-1,3-benzoxazol-2-amine
CID 106845081
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133415291
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
N-[4-(1,3-benzoxazol-2-ylamino)butyl]formamide
CID 87717718
2-(pyridin-3-ylmethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690619
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine (CID 47184699) is N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine is c1cncc(CCNc2nc3ccccc3o2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is BJQZGYPJGXLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-6-13-12(5-1)17-14(18-13)16-9-7-11-4-3-8-15-10-11/h1-6,8,10H,7,9H2,(H,16,17).
What are the key properties of N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine?
N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 47184699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).