N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

C12H11ClN2O4 — CID 71802469

IUPACN-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2OC)on1
InChIInChI=1S/C12H11ClN2O4/c1-17-9-4-3-7(13)5-8(9)14-12(16)10-6-11(18-2)15-19-10/h3-6H,1-2H3,(H,14,16)
InChIKeyVROUWGUMBDKMQE-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.60
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802469) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802469
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2OC)on1
InChIInChI=1S/C12H11ClN2O4/c1-17-9-4-3-7(13)5-8(9)14-12(16)10-6-11(18-2)15-19-10/h3-6H,1-2H3,(H,14,16)
InChIKeyVROUWGUMBDKMQE-UHFFFAOYSA-N
XLogP2.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 4048569
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802469) is N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2cc(Cl)ccc2OC)on1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is VROUWGUMBDKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-17-9-4-3-7(13)5-8(9)14-12(16)10-6-11(18-2)15-19-10/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 282.68 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).