1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate

C17H17N3O3 — CID 174690828

IUPAC1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)Oc2ccn[nH]2)c(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O3/c1-2-3-9-13-19-15(17(21)23-14-10-11-18-20-14)16(22-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,20)
InChIKeyVWVKEOPFQJNZJH-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.63
Rot. Bonds6

About 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate

1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 174690828) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID174690828
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)Oc2ccn[nH]2)c(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O3/c1-2-3-9-13-19-15(17(21)23-14-10-11-18-20-14)16(22-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,20)
InChIKeyVWVKEOPFQJNZJH-UHFFFAOYSA-N
XLogP3.63
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate 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

methyl 2-heptyl-5-phenyl-1,3-oxazole-4-carboxylate
CID 15646209
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
CID 174155754
CID 174155754
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
5-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
CID 90337833
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 66929171
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
1H-pyrazol-5-yl N-methylcarbamate
CID 154289167
2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 152915211

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate (CID 174690828) is 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate is CCCCc1nc(C(=O)Oc2ccn[nH]2)c(-c2ccccc2)o1.
What is the InChIKey of 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is VWVKEOPFQJNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-3-9-13-19-15(17(21)23-14-10-11-18-20-14)16(22-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,20).
What are the key properties of 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate?
1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl 2-butyl-5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 174690828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).