N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H20N4O3 — CID 24653936

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C18H20N4O3/c19-17(23)12-5-6-15(22-7-1-2-8-22)13(9-12)20-18(24)14-10-16(25-21-14)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H2,19,23)(H,20,24)
InChIKeyBHHCJFBUUSGLPO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.50
Rot. Bonds5

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 24653936) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID24653936
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C18H20N4O3/c19-17(23)12-5-6-15(22-7-1-2-8-22)13(9-12)20-18(24)14-10-16(25-21-14)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H2,19,23)(H,20,24)
InChIKeyBHHCJFBUUSGLPO-UHFFFAOYSA-N
XLogP2.50
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 24653936) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(C3CC3)on2)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is BHHCJFBUUSGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-17(23)12-5-6-15(22-7-1-2-8-22)13(9-12)20-18(24)14-10-16(25-21-14)11-3-4-11/h5-6,9-11H,1-4,7-8H2,(H2,19,23)(H,20,24).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24653936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).