3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide

C23H33N5O4 — CID 166343145

IUPAC3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCc1c(C(=O)N2CCC[C@@H]2CNC(=O)C2(C)CC(C3CC3)=NO2)cnn1C1CCOCC1
InChIInChI=1S/C23H33N5O4/c1-15-19(14-25-28(15)17-7-10-31-11-8-17)21(29)27-9-3-4-18(27)13-24-22(30)23(2)12-20(26-32-23)16-5-6-16/h14,16-18H,3-13H2,1-2H3,(H,24,30)/t18-,23?/m1/s1
InChIKeyXKNLABFQSRYGTK-FKSKYRLFSA-N
MW443.55 g/mol
LogP2.21
Rot. Bonds6

About 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide

3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 166343145) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID166343145
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCc1c(C(=O)N2CCC[C@@H]2CNC(=O)C2(C)CC(C3CC3)=NO2)cnn1C1CCOCC1
InChIInChI=1S/C23H33N5O4/c1-15-19(14-25-28(15)17-7-10-31-11-8-17)21(29)27-9-3-4-18(27)13-24-22(30)23(2)12-20(26-32-23)16-5-6-16/h14,16-18H,3-13H2,1-2H3,(H,24,30)/t18-,23?/m1/s1
InChIKeyXKNLABFQSRYGTK-FKSKYRLFSA-N
XLogP2.21
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide (CID 166343145) is 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide is Cc1c(C(=O)N2CCC[C@@H]2CNC(=O)C2(C)CC(C3CC3)=NO2)cnn1C1CCOCC1.
What is the InChIKey of 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is XKNLABFQSRYGTK-FKSKYRLFSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-15-19(14-25-28(15)17-7-10-31-11-8-17)21(29)27-9-3-4-18(27)13-24-22(30)23(2)12-20(26-32-23)16-5-6-16/h14,16-18H,3-13H2,1-2H3,(H,24,30)/t18-,23?/m1/s1.
What are the key properties of 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide?
3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-N-[[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 166343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).