N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C16H19N3O4 — CID 43911440

IUPACN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(23-19-11)16(21)18-13-6-4-12(5-7-13)15(20)17-8-3-9-22-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySWWUGFWBAZLYBW-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.00
Rot. Bonds7

About N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43911440) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43911440
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(23-19-11)16(21)18-13-6-4-12(5-7-13)15(20)17-8-3-9-22-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySWWUGFWBAZLYBW-UHFFFAOYSA-N
XLogP2.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 43911440) is N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is COCCCNC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1.
What is the InChIKey of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is SWWUGFWBAZLYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-10-14(23-19-11)16(21)18-13-6-4-12(5-7-13)15(20)17-8-3-9-22-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).