(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid

C13H9N3O3 — CID 175414286

IUPAC(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
SMILESO=C(O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C13H9N3O3/c17-13(18)15-9-3-4-11-10(6-9)16-12(19-11)8-2-1-5-14-7-8/h1-7,15H,(H,17,18)
InChIKeyQKJRWIBNQHCPQP-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.98
Rot. Bonds2

About (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid

(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid (PubChem CID 175414286) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
PubChem CID175414286
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
SMILESO=C(O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C13H9N3O3/c17-13(18)15-9-3-4-11-10(6-9)16-12(19-11)8-2-1-5-14-7-8/h1-7,15H,(H,17,18)
InChIKeyQKJRWIBNQHCPQP-UHFFFAOYSA-N
XLogP2.98
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063739
3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 4909415
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
6-oxo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1H-pyrazine-3-carboxamide
CID 131979407
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
4-chloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2269824
(E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 2275096
2-fluoro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2281577
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid?
The IUPAC name of (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid (CID 175414286) is (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid.
What is the SMILES notation for (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid?
The canonical SMILES for (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid is O=C(O)Nc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid?
The InChIKey is QKJRWIBNQHCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-13(18)15-9-3-4-11-10(6-9)16-12(19-11)8-2-1-5-14-7-8/h1-7,15H,(H,17,18).
What are the key properties of (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid?
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid has a molecular weight of 255.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid is sourced from PubChem (CID 175414286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).