N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C19H21N3O3 — CID 70711111

IUPACN-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3ccon3)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-2-4-13(5-3-12)15-10-22(19(24)16-8-9-25-21-16)11-17(15)20-18(23)14-6-7-14/h2-5,8-9,14-15,17H,6-7,10-11H2,1H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyFEKCFXKCYQWUHV-DOTOQJQBSA-N
MW339.40 g/mol
LogP2.12
Rot. Bonds4

About N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 70711111) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID70711111
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)c3ccon3)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-2-4-13(5-3-12)15-10-22(19(24)16-8-9-25-21-16)11-17(15)20-18(23)14-6-7-14/h2-5,8-9,14-15,17H,6-7,10-11H2,1H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyFEKCFXKCYQWUHV-DOTOQJQBSA-N
XLogP2.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 70711111) is N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccc([C@@H]2CN(C(=O)c3ccon3)C[C@H]2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is FEKCFXKCYQWUHV-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-2-4-13(5-3-12)15-10-22(19(24)16-8-9-25-21-16)11-17(15)20-18(23)14-6-7-14/h2-5,8-9,14-15,17H,6-7,10-11H2,1H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methylphenyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70711111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).