N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide

C16H14N2O5 — CID 91794515

IUPACN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3cc(=O)cc(C)o3)nc2c1
InChIInChI=1S/C16H14N2O5/c1-9-5-10(19)6-14(22-9)16(20)17-8-15-18-12-7-11(21-2)3-4-13(12)23-15/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyASBQKQQTDMGPOC-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.03
Rot. Bonds4

About N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91794515) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91794515
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3cc(=O)cc(C)o3)nc2c1
InChIInChI=1S/C16H14N2O5/c1-9-5-10(19)6-14(22-9)16(20)17-8-15-18-12-7-11(21-2)3-4-13(12)23-15/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyASBQKQQTDMGPOC-UHFFFAOYSA-N
XLogP2.03
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664819
(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125438312
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
(3R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125162951
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91835467
7-methoxy-N-[(4-methylphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 4187863
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91841825
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 91794515) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide is COc1ccc2oc(CNC(=O)c3cc(=O)cc(C)o3)nc2c1.
What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is ASBQKQQTDMGPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-9-5-10(19)6-14(22-9)16(20)17-8-15-18-12-7-11(21-2)3-4-13(12)23-15/h3-7H,8H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).