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

C20H17ClN2O2 — CID 55619996

IUPAC2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2/c21-16-4-2-1-3-13(16)14-10-15(14)19(24)22-12-7-8-18-17(9-12)23-20(25-18)11-5-6-11/h1-4,7-9,11,14-15H,5-6,10H2,(H,22,24)
InChIKeyAHSRSRBCMXARPH-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.10
Rot. Bonds4

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

2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 55619996) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
PubChem CID55619996
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2/c21-16-4-2-1-3-13(16)14-10-15(14)19(24)22-12-7-8-18-17(9-12)23-20(25-18)11-5-6-11/h1-4,7-9,11,14-15H,5-6,10H2,(H,22,24)
InChIKeyAHSRSRBCMXARPH-UHFFFAOYSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 46416324
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 51295410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide (CID 55619996) is 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is AHSRSRBCMXARPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-16-4-2-1-3-13(16)14-10-15(14)19(24)22-12-7-8-18-17(9-12)23-20(25-18)11-5-6-11/h1-4,7-9,11,14-15H,5-6,10H2,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55619996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).