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

C19H23N3O3 — CID 131892415

IUPACN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)on1
InChIInChI=1S/C19H23N3O3/c1-12(2)10-15-11-17(25-21-15)19(24)20-14-5-7-16(8-6-14)22-13(3)4-9-18(22)23/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,24)
InChIKeySWRVSSLTJNMXTP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.64
Rot. Bonds5

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

N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 131892415) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID131892415
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)on1
InChIInChI=1S/C19H23N3O3/c1-12(2)10-15-11-17(25-21-15)19(24)20-14-5-7-16(8-6-14)22-13(3)4-9-18(22)23/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,24)
InChIKeySWRVSSLTJNMXTP-UHFFFAOYSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 131892415) is N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)on1.
What is the InChIKey of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SWRVSSLTJNMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)10-15-11-17(25-21-15)19(24)20-14-5-7-16(8-6-14)22-13(3)4-9-18(22)23/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).