5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C25H26N6O3 — CID 163291915

IUPAC5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)Cc3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cc3)on2)cc1
InChIInChI=1S/C25H26N6O3/c1-14(2)31-24(26)22(25(27)33)23(29-31)18-10-6-16(7-11-18)12-20(32)28-21-13-19(30-34-21)17-8-4-15(3)5-9-17/h4-11,13-14H,12,26H2,1-3H3,(H2,27,33)(H,28,32)
InChIKeyZPDHKAMIVLTYFE-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.96
Rot. Bonds7

About 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291915) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291915
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)Cc3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cc3)on2)cc1
InChIInChI=1S/C25H26N6O3/c1-14(2)31-24(26)22(25(27)33)23(29-31)18-10-6-16(7-11-18)12-20(32)28-21-13-19(30-34-21)17-8-4-15(3)5-9-17/h4-11,13-14H,12,26H2,1-3H3,(H2,27,33)(H,28,32)
InChIKeyZPDHKAMIVLTYFE-UHFFFAOYSA-N
XLogP3.96
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291915) is 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)Cc3ccc(-c4nn(C(C)C)c(N)c4C(N)=O)cc3)on2)cc1.
What is the InChIKey of 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZPDHKAMIVLTYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-14(2)31-24(26)22(25(27)33)23(29-31)18-10-6-16(7-11-18)12-20(32)28-21-13-19(30-34-21)17-8-4-15(3)5-9-17/h4-11,13-14H,12,26H2,1-3H3,(H2,27,33)(H,28,32).
What are the key properties of 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).