N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C19H19ClN6O2 — CID 154761382

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H19ClN6O2/c20-13-7-5-12(6-8-13)17-10-16(26-28-17)19(27)23-9-3-1-2-4-15-14(11-21)18(22)25-24-15/h5-8,10H,1-4,9H2,(H,23,27)(H3,22,24,25)
InChIKeyJBMGGIWFFQCBPU-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.31
Rot. Bonds8

About N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 154761382) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID154761382
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H19ClN6O2/c20-13-7-5-12(6-8-13)17-10-16(26-28-17)19(27)23-9-3-1-2-4-15-14(11-21)18(22)25-24-15/h5-8,10H,1-4,9H2,(H,23,27)(H3,22,24,25)
InChIKeyJBMGGIWFFQCBPU-UHFFFAOYSA-N
XLogP3.31
TPSA133.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8889404
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8840552
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
CID 8929445
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 25371723
N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 57383727
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155820442

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 154761382) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is N#Cc1c(N)n[nH]c1CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JBMGGIWFFQCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c20-13-7-5-12(6-8-13)17-10-16(26-28-17)19(27)23-9-3-1-2-4-15-14(11-21)18(22)25-24-15/h5-8,10H,1-4,9H2,(H,23,27)(H3,22,24,25).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154761382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).