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

C15H12N2O2 — CID 168654349

IUPACN-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
SMILESCc1cccc(-c2nc3ccc(NC=O)cc3o2)c1
InChIInChI=1S/C15H12N2O2/c1-10-3-2-4-11(7-10)15-17-13-6-5-12(16-9-18)8-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyMPWPONVRTKDNME-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

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

N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide (PubChem CID 168654349) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
PubChem CID168654349
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
SMILESCc1cccc(-c2nc3ccc(NC=O)cc3o2)c1
InChIInChI=1S/C15H12N2O2/c1-10-3-2-4-11(7-10)15-17-13-6-5-12(16-9-18)8-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyMPWPONVRTKDNME-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
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

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168652805
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707
(2R)-2-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
CID 125495241
1-(2-hydroxyethyl)-3-[[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]amino]pyrrole-2,5-dione
CID 168560502
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
(3R,4R)-3-(dimethylamino)-4-hydroxy-N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]pyrrolidine-1-carboxamide
CID 133131919
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide?
The IUPAC name of N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide (CID 168654349) is N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide?
The canonical SMILES for N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide is Cc1cccc(-c2nc3ccc(NC=O)cc3o2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide?
The InChIKey is MPWPONVRTKDNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-3-2-4-11(7-10)15-17-13-6-5-12(16-9-18)8-14(13)19-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide?
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide is sourced from PubChem (CID 168654349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).