N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide

C15H14N4O4 — CID 135982362

IUPACN-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3onc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C15H14N4O4/c1-8-11-13(20)17-12(18-15(11)23-19-8)14(21)16-7-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyIPEOVTMHXAYGKM-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.16
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide

N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide (PubChem CID 135982362) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide
PubChem CID135982362
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3onc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C15H14N4O4/c1-8-11-13(20)17-12(18-15(11)23-19-8)14(21)16-7-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyIPEOVTMHXAYGKM-UHFFFAOYSA-N
XLogP1.16
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide (CID 135982362) is N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide is COc1cccc(CNC(=O)c2nc3onc(C)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide?
The InChIKey is IPEOVTMHXAYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-8-11-13(20)17-12(18-15(11)23-19-8)14(21)16-7-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135982362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).