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

C15H12N2O3 — CID 168653266

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC=O
InChIInChI=1S/C15H12N2O3/c1-19-13-7-6-10(8-12(13)16-9-18)15-17-11-4-2-3-5-14(11)20-15/h2-9H,1H3,(H,16,18)
InChIKeyKTRYVNLFQLATQJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.07
Rot. Bonds4

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

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide (PubChem CID 168653266) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
PubChem CID168653266
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC=O
InChIInChI=1S/C15H12N2O3/c1-19-13-7-6-10(8-12(13)16-9-18)15-17-11-4-2-3-5-14(11)20-15/h2-9H,1H3,(H,16,18)
InChIKeyKTRYVNLFQLATQJ-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-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168650811
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
2-(3-isocyanato-4-methoxyphenyl)-1,3-benzoxazole
CID 169354003
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 1496876
(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2204089
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide (CID 168653266) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide is COc1ccc(-c2nc3ccccc3o2)cc1NC=O.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide?
The InChIKey is KTRYVNLFQLATQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-13-7-6-10(8-12(13)16-9-18)15-17-11-4-2-3-5-14(11)20-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]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-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide is sourced from PubChem (CID 168653266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).