N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide

C18H16N2O2 — CID 1085309

IUPACN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nc2cc(NC(=O)C3CC3)ccc2o1
InChIInChI=1S/C18H16N2O2/c1-11-4-2-3-5-14(11)18-20-15-10-13(8-9-16(15)22-18)19-17(21)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21)
InChIKeyBSCFIFXHLNDBGW-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.15
Rot. Bonds3

About N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide

N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide (PubChem CID 1085309) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide
PubChem CID1085309
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nc2cc(NC(=O)C3CC3)ccc2o1
InChIInChI=1S/C18H16N2O2/c1-11-4-2-3-5-14(11)18-20-15-10-13(8-9-16(15)22-18)19-17(21)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21)
InChIKeyBSCFIFXHLNDBGW-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
5-Nitro-2-phenyl-1,3-benzoxazole
CID 759401
L 696229
CID 72352
2-(2'-Methylphenyl)benzoxazole
CID 154899
BI 99179
CID 51346964
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide (CID 1085309) is N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide is Cc1ccccc1-c1nc2cc(NC(=O)C3CC3)ccc2o1.
What is the InChIKey of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide?
The InChIKey is BSCFIFXHLNDBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-4-2-3-5-14(11)18-20-15-10-13(8-9-16(15)22-18)19-17(21)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide?
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1085309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).