3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide

C20H14ClN3O4 — CID 135655445

IUPAC3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl
InChIInChI=1S/C20H14ClN3O4/c1-27-17-5-2-11(8-14(17)21)19(26)23-12-3-4-16(25)13(9-12)20-24-15-10-22-7-6-18(15)28-20/h2-10,25H,1H3,(H,23,26)
InChIKeyIRWZGRVGBDICHD-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.51
Rot. Bonds4

About 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide

3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 135655445) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
PubChem CID135655445
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl
InChIInChI=1S/C20H14ClN3O4/c1-27-17-5-2-11(8-14(17)21)19(26)23-12-3-4-16(25)13(9-12)20-24-15-10-22-7-6-18(15)28-20/h2-10,25H,1H3,(H,23,26)
InChIKeyIRWZGRVGBDICHD-UHFFFAOYSA-N
XLogP4.51
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

S-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoylamino] 3-chloro-4-methoxybenzenecarbothioate
CID 135801897
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dichloro-4-methoxybenzamide
CID 2279820
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364043
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135654510
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide
CID 135645663
3-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxybenzamide
CID 135698032
2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39341655
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide (CID 135655445) is 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is IRWZGRVGBDICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c1-27-17-5-2-11(8-14(17)21)19(26)23-12-3-4-16(25)13(9-12)20-24-15-10-22-7-6-18(15)28-20/h2-10,25H,1H3,(H,23,26).
What are the key properties of 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide?
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 395.80 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 135655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).