5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C17H24N4O2 — CID 145039988

IUPAC5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC=C1CN(C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H24N4O2/c1-11-9-21(13-4-6-18-7-5-13)10-15(11)19-17(22)14-8-16(23-20-14)12-2-3-12/h8,12-13,15,18H,1-7,9-10H2,(H,19,22)/t15-/m1/s1
InChIKeyPPHMMWLDDFMNCJ-OAHLLOKOSA-N
MW316.40 g/mol
LogP1.27
Rot. Bonds4

About 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145039988) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID145039988
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC=C1CN(C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H24N4O2/c1-11-9-21(13-4-6-18-7-5-13)10-15(11)19-17(22)14-8-16(23-20-14)12-2-3-12/h8,12-13,15,18H,1-7,9-10H2,(H,19,22)/t15-/m1/s1
InChIKeyPPHMMWLDDFMNCJ-OAHLLOKOSA-N
XLogP1.27
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386458
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 163428886
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
5-cyclopropyl-N-[1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 146458087
5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395229
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 145039988) is 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C=C1CN(C2CCNCC2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PPHMMWLDDFMNCJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-9-21(13-4-6-18-7-5-13)10-15(11)19-17(22)14-8-16(23-20-14)12-2-3-12/h8,12-13,15,18H,1-7,9-10H2,(H,19,22)/t15-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-4-methylidene-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145039988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).