5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide

C26H34N6O4 — CID 164765542

IUPAC5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide
SMILESCCOC1CC(n2nc(-c3ccc(CC(=O)Nc4cc(CC(C)(C)C)no4)cc3)c(C(N)=O)c2N)C1
InChIInChI=1S/C26H34N6O4/c1-5-35-19-12-18(13-19)32-24(27)22(25(28)34)23(30-32)16-8-6-15(7-9-16)10-20(33)29-21-11-17(31-36-21)14-26(2,3)4/h6-9,11,18-19H,5,10,12-14,27H2,1-4H3,(H2,28,34)(H,29,33)
InChIKeyIRKISAXJQPINAE-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.73
Rot. Bonds9

About 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide (PubChem CID 164765542) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide
PubChem CID164765542
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide
SMILESCCOC1CC(n2nc(-c3ccc(CC(=O)Nc4cc(CC(C)(C)C)no4)cc3)c(C(N)=O)c2N)C1
InChIInChI=1S/C26H34N6O4/c1-5-35-19-12-18(13-19)32-24(27)22(25(28)34)23(30-32)16-8-6-15(7-9-16)10-20(33)29-21-11-17(31-36-21)14-26(2,3)4/h6-9,11,18-19H,5,10,12-14,27H2,1-4H3,(H2,28,34)(H,29,33)
InChIKeyIRKISAXJQPINAE-UHFFFAOYSA-N
XLogP3.73
TPSA151.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
CID 163292051
5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
CID 163292001
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.0]butanylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167058943
5-amino-3-[4-[2-[(3-benzyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292118
5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292154
5-amino-3-[4-[2-[[3-(4-fluorobutyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167059300
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
5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
CID 162485684
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[3-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 164765622
5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 167059255
5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 163292126

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide (CID 164765542) is 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide is CCOC1CC(n2nc(-c3ccc(CC(=O)Nc4cc(CC(C)(C)C)no4)cc3)c(C(N)=O)c2N)C1.
What is the InChIKey of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide?
The InChIKey is IRKISAXJQPINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-5-35-19-12-18(13-19)32-24(27)22(25(28)34)23(30-32)16-8-6-15(7-9-16)10-20(33)29-21-11-17(31-36-21)14-26(2,3)4/h6-9,11,18-19H,5,10,12-14,27H2,1-4H3,(H2,28,34)(H,29,33).
What are the key properties of 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(3-ethoxycyclobutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 164765542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).