(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine

C19H16N4O — CID 164915887

IUPAC(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
SMILESN[C@@H](Cc1ccccn1)c1ccncc1-c1noc2ccccc12
InChIInChI=1S/C19H16N4O/c20-17(11-13-5-3-4-9-22-13)14-8-10-21-12-16(14)19-15-6-1-2-7-18(15)24-23-19/h1-10,12,17H,11,20H2/t17-/m0/s1
InChIKeyKEAJBWQVPFMBBR-KRWDZBQOSA-N
MW316.36 g/mol
LogP3.53
Rot. Bonds4

About (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine

(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine (PubChem CID 164915887) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
PubChem CID164915887
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
SMILESN[C@@H](Cc1ccccn1)c1ccncc1-c1noc2ccccc12
InChIInChI=1S/C19H16N4O/c20-17(11-13-5-3-4-9-22-13)14-8-10-21-12-16(14)19-15-6-1-2-7-18(15)24-23-19/h1-10,12,17H,11,20H2/t17-/m0/s1
InChIKeyKEAJBWQVPFMBBR-KRWDZBQOSA-N
XLogP3.53
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
(1S)-1-[2-(1,2-benzoxazol-3-yl)-4-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 164915731
1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174203870
1-[2-(1,2-benzoxazol-3-yl)-3-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174201724
1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
CID 174202789
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-3-carbonitrile;hydrochloride
CID 174201368
[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
CID 174201473
6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile
CID 164915881
1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 18357475
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]ethanamine;hydrochloride
CID 164915652
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
1-[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-3-methylurea
CID 164915348

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine (CID 164915887) is (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine is N[C@@H](Cc1ccccn1)c1ccncc1-c1noc2ccccc12.
What is the InChIKey of (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine?
The InChIKey is KEAJBWQVPFMBBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N4O/c20-17(11-13-5-3-4-9-22-13)14-8-10-21-12-16(14)19-15-6-1-2-7-18(15)24-23-19/h1-10,12,17H,11,20H2/t17-/m0/s1.
What are the key properties of (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine?
(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine has a molecular weight of 316.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 164915887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).