2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide

C20H13Cl2N3O3 — CID 39341655

IUPAC2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-27-17-5-2-11(20-25-16-10-23-7-6-18(16)28-20)8-15(17)24-19(26)13-9-12(21)3-4-14(13)22/h2-10H,1H3,(H,24,26)
InChIKeyFBYRPSYEWXCBFV-UHFFFAOYSA-N
MW414.25 g/mol
LogP5.46
Rot. Bonds4

About 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide

2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide (PubChem CID 39341655) has the molecular formula C20H13Cl2N3O3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
PubChem CID39341655
Molecular FormulaC20H13Cl2N3O3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-27-17-5-2-11(20-25-16-10-23-7-6-18(16)28-20)8-15(17)24-19(26)13-9-12(21)3-4-14(13)22/h2-10H,1H3,(H,24,26)
InChIKeyFBYRPSYEWXCBFV-UHFFFAOYSA-N
XLogP5.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39347163
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
2,4-dichloro-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1144216
5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 2298639
5-(2,5-dichlorophenyl)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17318735
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
N-[2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 39349143
5-chloro-N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2284680
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17092589

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide (CID 39341655) is 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide is COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
The InChIKey is FBYRPSYEWXCBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3/c1-27-17-5-2-11(20-25-16-10-23-7-6-18(16)28-20)8-15(17)24-19(26)13-9-12(21)3-4-14(13)22/h2-10H,1H3,(H,24,26).
What are the key properties of 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide?
2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide has a molecular weight of 414.25 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 39341655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).