N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H36N4O3 — CID 160714667

IUPACN-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C26H36N4O3/c1-30(2)15-7-14-27-25(31)21-11-6-10-20(16-21)24(19-8-4-3-5-9-19)28-26(32)22-17-23(33-29-22)18-12-13-18/h6,10-11,16-19,24H,3-5,7-9,12-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyRSHUQQZOXYHSRN-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.28
Rot. Bonds10

About N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 160714667) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID160714667
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C26H36N4O3/c1-30(2)15-7-14-27-25(31)21-11-6-10-20(16-21)24(19-8-4-3-5-9-19)28-26(32)22-17-23(33-29-22)18-12-13-18/h6,10-11,16-19,24H,3-5,7-9,12-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyRSHUQQZOXYHSRN-UHFFFAOYSA-N
XLogP4.28
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
CID 130188022
N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159250793
N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 160909894
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
CID 130188123
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 130188114
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 130188189
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 160714667) is N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CN(C)CCCNC(=O)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.
What is the InChIKey of N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is RSHUQQZOXYHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-30(2)15-7-14-27-25(31)21-11-6-10-20(16-21)24(19-8-4-3-5-9-19)28-26(32)22-17-23(33-29-22)18-12-13-18/h6,10-11,16-19,24H,3-5,7-9,12-15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160714667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).