5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide

C25H35N5O3 — CID 130188022

IUPAC5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1
InChIInChI=1S/C25H35N5O3/c1-30(2)14-4-11-27-24(31)20-6-3-5-19(15-20)23(18-9-12-26-13-10-18)28-25(32)21-16-22(33-29-21)17-7-8-17/h3,5-6,15-18,23,26H,4,7-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOXQAGQVLBKDBDP-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.70
Rot. Bonds10

About 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188022) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID130188022
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1
InChIInChI=1S/C25H35N5O3/c1-30(2)14-4-11-27-24(31)20-6-3-5-19(15-20)23(18-9-12-26-13-10-18)28-25(32)21-16-22(33-29-21)17-7-8-17/h3,5-6,15-18,23,26H,4,7-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOXQAGQVLBKDBDP-UHFFFAOYSA-N
XLogP2.70
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (CID 130188022) is 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is CN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCNCC2)c1.
What is the InChIKey of 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OXQAGQVLBKDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-30(2)14-4-11-27-24(31)20-6-3-5-19(15-20)23(18-9-12-26-13-10-18)28-25(32)21-16-22(33-29-21)17-7-8-17/h3,5-6,15-18,23,26H,4,7-14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 2.70, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).