3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C16H14N2O4 — CID 134019844

IUPAC3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1C
InChIInChI=1S/C16H14N2O4/c1-9-3-4-10(7-14(9)21-2)15(19)17-11-5-6-13-12(8-11)18-16(20)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMHCITDKYLBCTOV-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.69
Rot. Bonds3

About 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 134019844) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID134019844
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1C
InChIInChI=1S/C16H14N2O4/c1-9-3-4-10(7-14(9)21-2)15(19)17-11-5-6-13-12(8-11)18-16(20)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMHCITDKYLBCTOV-UHFFFAOYSA-N
XLogP2.69
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
CID 134019993
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 134019844) is 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is COc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is MHCITDKYLBCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-3-4-10(7-14(9)21-2)15(19)17-11-5-6-13-12(8-11)18-16(20)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 298.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 134019844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).