N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide

C15H12N2O3 — CID 168652805

IUPACN-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
SMILESCOc1cccc(-c2nc3ccc(NC=O)cc3o2)c1
InChIInChI=1S/C15H12N2O3/c1-19-12-4-2-3-10(7-12)15-17-13-6-5-11(16-9-18)8-14(13)20-15/h2-9H,1H3,(H,16,18)
InChIKeyVAJZVTUMSWQHSB-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide (PubChem CID 168652805) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
PubChem CID168652805
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
SMILESCOc1cccc(-c2nc3ccc(NC=O)cc3o2)c1
InChIInChI=1S/C15H12N2O3/c1-19-12-4-2-3-10(7-12)15-17-13-6-5-11(16-9-18)8-14(13)20-15/h2-9H,1H3,(H,16,18)
InChIKeyVAJZVTUMSWQHSB-UHFFFAOYSA-N
XLogP3.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
2-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]hydrazinylidene]propanedinitrile
CID 169340301
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
2-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]propanedinitrile
CID 168544300
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
1-(diaminomethylidene)-2-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]guanidine
CID 168604323
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide (CID 168652805) is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide is COc1cccc(-c2nc3ccc(NC=O)cc3o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide?
The InChIKey is VAJZVTUMSWQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-12-4-2-3-10(7-12)15-17-13-6-5-11(16-9-18)8-14(13)20-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide?
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide has a molecular weight of 268.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide is sourced from PubChem (CID 168652805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).