4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

C20H23N3O3S — CID 24747797

IUPAC4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
SMILESO=C(NCC1CC1)c1onc(CSc2ccccc2)c1C(=O)NCC1CC1
InChIInChI=1S/C20H23N3O3S/c24-19(21-10-13-6-7-13)17-16(12-27-15-4-2-1-3-5-15)23-26-18(17)20(25)22-11-14-8-9-14/h1-5,13-14H,6-12H2,(H,21,24)(H,22,25)
InChIKeySRHZVFHZJYSUOR-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.25
Rot. Bonds9

About 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide (PubChem CID 24747797) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
PubChem CID24747797
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
SMILESO=C(NCC1CC1)c1onc(CSc2ccccc2)c1C(=O)NCC1CC1
InChIInChI=1S/C20H23N3O3S/c24-19(21-10-13-6-7-13)17-16(12-27-15-4-2-1-3-5-15)23-26-18(17)20(25)22-11-14-8-9-14/h1-5,13-14H,6-12H2,(H,21,24)(H,22,25)
InChIKeySRHZVFHZJYSUOR-UHFFFAOYSA-N
XLogP3.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide 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 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide (CID 24747797) is 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide is O=C(NCC1CC1)c1onc(CSc2ccccc2)c1C(=O)NCC1CC1.
What is the InChIKey of 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
The InChIKey is SRHZVFHZJYSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19(21-10-13-6-7-13)17-16(12-27-15-4-2-1-3-5-15)23-26-18(17)20(25)22-11-14-8-9-14/h1-5,13-14H,6-12H2,(H,21,24)(H,22,25).
What are the key properties of 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide?
4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 24747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).