N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide

C14H9ClN2O2 — CID 168652707

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
SMILESO=CNc1cccc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-5-13-12(7-10)17-14(19-13)9-2-1-3-11(6-9)16-8-18/h1-8H,(H,16,18)
InChIKeyMGDSARHMVDRCPG-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.72
Rot. Bonds3

About N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide (PubChem CID 168652707) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
PubChem CID168652707
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
SMILESO=CNc1cccc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-5-13-12(7-10)17-14(19-13)9-2-1-3-11(6-9)16-8-18/h1-8H,(H,16,18)
InChIKeyMGDSARHMVDRCPG-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]propan-2-ol
CID 168639347
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
2-benzylsulfanyl-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17362953
5-chloro-2-(3-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677456
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17162616
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione
CID 132797663

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide (CID 168652707) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide is O=CNc1cccc(-c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide?
The InChIKey is MGDSARHMVDRCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-4-5-13-12(7-10)17-14(19-13)9-2-1-3-11(6-9)16-8-18/h1-8H,(H,16,18).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide has a molecular weight of 272.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide is sourced from PubChem (CID 168652707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).