[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid

C21H18N4O3 — CID 174201473

IUPAC[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
SMILESNC(Cc1cccc(NC(=O)O)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C21H18N4O3/c22-17(12-13-6-5-11-19(23-13)24-21(26)27)14-7-1-2-8-15(14)20-16-9-3-4-10-18(16)28-25-20/h1-11,17H,12,22H2,(H,23,24)(H,26,27)
InChIKeyOEQCGJJLALKAFK-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.22
Rot. Bonds5

About [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid

[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid (PubChem CID 174201473) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
PubChem CID174201473
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
SMILESNC(Cc1cccc(NC(=O)O)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C21H18N4O3/c22-17(12-13-6-5-11-19(23-13)24-21(26)27)14-7-1-2-8-15(14)20-16-9-3-4-10-18(16)28-25-20/h1-11,17H,12,22H2,(H,23,24)(H,26,27)
InChIKeyOEQCGJJLALKAFK-UHFFFAOYSA-N
XLogP4.22
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-3-methylurea
CID 164915348
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-2-carbonitrile
CID 174202525
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 164915375
[1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(6-methoxy-2-pyridinyl)ethyl]carbamic acid
CID 174200276
[1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(6-cyano-2-pyridinyl)ethyl]carbamic acid
CID 174204337
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(5-fluoro-6-methylsulfonyl-2-pyridinyl)ethanamine
CID 164915501
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-3-fluoropyridine-2-carbonitrile
CID 164915469
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]ethanamine;hydrochloride
CID 164915652
6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-N,N,5-trimethylpyridine-2-carboxamide
CID 164915718
3-[2-[1-amino-2-(6-methyl-2-pyridinyl)ethyl]phenyl]-1,2-benzoxazole-6-carbonitrile
CID 174200467
[[1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-(6-carboxy-2-pyridinyl)ethyl]amino]-tert-butyl-oxidosulfanium
CID 174205024

Frequently Asked Questions

What is the IUPAC name of [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid (CID 174201473) is [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid is NC(Cc1cccc(NC(=O)O)n1)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid?
The InChIKey is OEQCGJJLALKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c22-17(12-13-6-5-11-19(23-13)24-21(26)27)14-7-1-2-8-15(14)20-16-9-3-4-10-18(16)28-25-20/h1-11,17H,12,22H2,(H,23,24)(H,26,27).
What are the key properties of [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid?
[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid has a molecular weight of 374.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 174201473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).