N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H15ClN2O3 — CID 4048569

IUPACN-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H15ClN2O3/c1-20-13-7-6-9(16)8-11(13)17-15(19)14-10-4-2-3-5-12(10)21-18-14/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyCVYGEZNZPWWJLF-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.47
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 4048569) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID4048569
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H15ClN2O3/c1-20-13-7-6-9(16)8-11(13)17-15(19)14-10-4-2-3-5-12(10)21-18-14/h6-8H,2-5H2,1H3,(H,17,19)
InChIKeyCVYGEZNZPWWJLF-UHFFFAOYSA-N
XLogP3.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307719
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoate
CID 45493533
N-(5-chloro-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 146130539
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 4053928
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 4048569) is N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1noc2c1CCCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is CVYGEZNZPWWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-13-7-6-9(16)8-11(13)17-15(19)14-10-4-2-3-5-12(10)21-18-14/h6-8H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 4048569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).