N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H23N5O3 — CID 49055202

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H23N5O3/c1-3-14-16(11(2)25-21-14)17(24)20-13-8-18-22(9-13)10-15(23)19-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOLGUGDSFNZHZDU-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.05
Rot. Bonds6

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 49055202) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID49055202
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H23N5O3/c1-3-14-16(11(2)25-21-14)17(24)20-13-8-18-22(9-13)10-15(23)19-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOLGUGDSFNZHZDU-UHFFFAOYSA-N
XLogP2.05
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 49055202) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OLGUGDSFNZHZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-14-16(11(2)25-21-14)17(24)20-13-8-18-22(9-13)10-15(23)19-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 49055202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).