N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide

C15H12N2O3 — CID 168653056

IUPACN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
SMILESCOc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-12-5-2-10(3-6-12)15-17-13-8-11(16-9-18)4-7-14(13)20-15/h2-9H,1H3,(H,16,18)
InChIKeyJIKXTHJRWIDTFK-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide (PubChem CID 168653056) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
PubChem CID168653056
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
SMILESCOc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-12-5-2-10(3-6-12)15-17-13-8-11(16-9-18)4-7-14(13)20-15/h2-9H,1H3,(H,16,18)
InChIKeyJIKXTHJRWIDTFK-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-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3125082
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide (CID 168653056) is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide is COc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide?
The InChIKey is JIKXTHJRWIDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-12-5-2-10(3-6-12)15-17-13-8-11(16-9-18)4-7-14(13)20-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide?
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-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-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide is sourced from PubChem (CID 168653056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).