[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate

C28H28N6O6S — CID 175578264

IUPAC[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(OC(N)=O)c(-c3cc(-c4ccc(CNC(=O)NC5CC5)cc4)no3)n2)cc1
InChIInChI=1S/C28H28N6O6S/c1-16(2)41(37,38)21-11-7-19(8-12-21)23-15-30-26(39-27(29)35)25(33-23)24-13-22(34-40-24)18-5-3-17(4-6-18)14-31-28(36)32-20-9-10-20/h3-8,11-13,15-16,20H,9-10,14H2,1-2H3,(H2,29,35)(H2,31,32,36)
InChIKeyUFZNUOYESAOJGD-UHFFFAOYSA-N
MW576.64 g/mol
LogP4.07
Rot. Bonds9

About [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate

[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate (PubChem CID 175578264) has the molecular formula C28H28N6O6S and a molecular weight of 576.64 g/mol. Its IUPAC name is [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate.

Molecular Properties

Compound Name[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate
PubChem CID175578264
Molecular FormulaC28H28N6O6S
Molecular Weight576.64 g/mol
Exact Mass576.18
IUPAC Name[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(OC(N)=O)c(-c3cc(-c4ccc(CNC(=O)NC5CC5)cc4)no3)n2)cc1
InChIInChI=1S/C28H28N6O6S/c1-16(2)41(37,38)21-11-7-19(8-12-21)23-15-30-26(39-27(29)35)25(33-23)24-13-22(34-40-24)18-5-3-17(4-6-18)14-31-28(36)32-20-9-10-20/h3-8,11-13,15-16,20H,9-10,14H2,1-2H3,(H2,29,35)(H2,31,32,36)
InChIKeyUFZNUOYESAOJGD-UHFFFAOYSA-N
XLogP4.07
TPSA179.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.64
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate 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 [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate?
The IUPAC name of [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate (CID 175578264) is [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate.
What is the SMILES notation for [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate?
The canonical SMILES for [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate is CC(C)S(=O)(=O)c1ccc(-c2cnc(OC(N)=O)c(-c3cc(-c4ccc(CNC(=O)NC5CC5)cc4)no3)n2)cc1.
What is the InChIKey of [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate?
The InChIKey is UFZNUOYESAOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O6S/c1-16(2)41(37,38)21-11-7-19(8-12-21)23-15-30-26(39-27(29)35)25(33-23)24-13-22(34-40-24)18-5-3-17(4-6-18)14-31-28(36)32-20-9-10-20/h3-8,11-13,15-16,20H,9-10,14H2,1-2H3,(H2,29,35)(H2,31,32,36).
What are the key properties of [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate?
[3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate has a molecular weight of 576.64 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-[(cyclopropylcarbamoylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl] carbamate is sourced from PubChem (CID 175578264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).