(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide

C23H25N5O4 — CID 110198607

IUPAC(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCc1onc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)NC2CC2)c1Cn1cccn1
InChIInChI=1S/C23H25N5O4/c1-15-19(14-27-11-5-10-24-27)21(26-32-15)23(30)28-13-18(31-17-6-3-2-4-7-17)12-20(28)22(29)25-16-8-9-16/h2-7,10-11,16,18,20H,8-9,12-14H2,1H3,(H,25,29)/t18-,20-/m0/s1
InChIKeyUVKCMCGWJRQYRU-ICSRJNTNSA-N
MW435.48 g/mol
LogP2.17
Rot. Bonds7

About (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198607) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198607
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCc1onc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)NC2CC2)c1Cn1cccn1
InChIInChI=1S/C23H25N5O4/c1-15-19(14-27-11-5-10-24-27)21(26-32-15)23(30)28-13-18(31-17-6-3-2-4-7-17)12-20(28)22(29)25-16-8-9-16/h2-7,10-11,16,18,20H,8-9,12-14H2,1H3,(H,25,29)/t18-,20-/m0/s1
InChIKeyUVKCMCGWJRQYRU-ICSRJNTNSA-N
XLogP2.17
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide (CID 110198607) is (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide is Cc1onc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)NC2CC2)c1Cn1cccn1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is UVKCMCGWJRQYRU-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-19(14-27-11-5-10-24-27)21(26-32-15)23(30)28-13-18(31-17-6-3-2-4-7-17)12-20(28)22(29)25-16-8-9-16/h2-7,10-11,16,18,20H,8-9,12-14H2,1H3,(H,25,29)/t18-,20-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-1,2-oxazole-3-carbonyl]-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).