7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide

C20H15ClN2O3 — CID 46416324

IUPAC7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)oc2c(Cl)cccc12
InChIInChI=1S/C20H15ClN2O3/c1-10-13-3-2-4-14(21)18(13)26-17(10)19(24)22-12-7-8-16-15(9-12)23-20(25-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,22,24)
InChIKeyQTZZHGRLMVKLHN-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.67
Rot. Bonds3

About 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46416324) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46416324
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)oc2c(Cl)cccc12
InChIInChI=1S/C20H15ClN2O3/c1-10-13-3-2-4-14(21)18(13)26-17(10)19(24)22-12-7-8-16-15(9-12)23-20(25-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,22,24)
InChIKeyQTZZHGRLMVKLHN-UHFFFAOYSA-N
XLogP5.67
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 55619996
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
ethyl 5-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55620212
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 46416324) is 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QTZZHGRLMVKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-10-13-3-2-4-14(21)18(13)26-17(10)19(24)22-12-7-8-16-15(9-12)23-20(25-16)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,22,24).
What are the key properties of 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46416324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).