1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide

C18H15ClN2O2 — CID 37040333

IUPAC1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)ccc2o1
InChIInChI=1S/C18H15ClN2O2/c1-11-20-15-10-14(6-7-16(15)23-11)21-17(22)18(8-9-18)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyUOAFQUOZNNEUOC-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.46
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 37040333) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
PubChem CID37040333
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)ccc2o1
InChIInChI=1S/C18H15ClN2O2/c1-11-20-15-10-14(6-7-16(15)23-11)21-17(22)18(8-9-18)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyUOAFQUOZNNEUOC-UHFFFAOYSA-N
XLogP4.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (CID 37040333) is 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is Cc1nc2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)ccc2o1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is UOAFQUOZNNEUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-20-15-10-14(6-7-16(15)23-11)21-17(22)18(8-9-18)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 37040333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).