(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone

C16H9ClN2O3 — CID 56692836

IUPAC(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cccnc1)c1conc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClN2O3/c17-12-5-3-10(4-6-12)16(21)14-13(9-22-19-14)15(20)11-2-1-7-18-8-11/h1-9H
InChIKeyFZOXCMNDQZHFEA-UHFFFAOYSA-N
MW312.71 g/mol
LogP3.18
Rot. Bonds4

About (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone

(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone (PubChem CID 56692836) has the molecular formula C16H9ClN2O3 and a molecular weight of 312.71 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
PubChem CID56692836
Molecular FormulaC16H9ClN2O3
Molecular Weight312.71 g/mol
Exact Mass312.03
IUPAC Name(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cccnc1)c1conc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClN2O3/c17-12-5-3-10(4-6-12)16(21)14-13(9-22-19-14)15(20)11-2-1-7-18-8-11/h1-9H
InChIKeyFZOXCMNDQZHFEA-UHFFFAOYSA-N
XLogP3.18
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 10695579

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone (CID 56692836) is (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone is O=C(c1cccnc1)c1conc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FZOXCMNDQZHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O3/c17-12-5-3-10(4-6-12)16(21)14-13(9-22-19-14)15(20)11-2-1-7-18-8-11/h1-9H.
What are the key properties of (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone?
(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 312.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 56692836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).