formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide

C21H31N5O5 — CID 171710055

IUPACformic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)C1CCC(NC(=O)c2cocn2)CC1.O=CO
InChIInChI=1S/C20H29N5O3.CH2O2/c1-14(2)18-21-9-11-25(18)10-3-8-22-19(26)15-4-6-16(7-5-15)24-20(27)17-12-28-13-23-17;2-1-3/h9,11-16H,3-8,10H2,1-2H3,(H,22,26)(H,24,27);1H,(H,2,3)
InChIKeyAGYYQDVAJKEUES-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.19
Rot. Bonds8

About formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide

formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide (PubChem CID 171710055) has the molecular formula C21H31N5O5 and a molecular weight of 433.51 g/mol. Its IUPAC name is formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide
PubChem CID171710055
Molecular FormulaC21H31N5O5
Molecular Weight433.51 g/mol
Exact Mass433.23
IUPAC Nameformic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)C1CCC(NC(=O)c2cocn2)CC1.O=CO
InChIInChI=1S/C20H29N5O3.CH2O2/c1-14(2)18-21-9-11-25(18)10-3-8-22-19(26)15-4-6-16(7-5-15)24-20(27)17-12-28-13-23-17;2-1-3/h9,11-16H,3-8,10H2,1-2H3,(H,22,26)(H,24,27);1H,(H,2,3)
InChIKeyAGYYQDVAJKEUES-UHFFFAOYSA-N
XLogP2.19
TPSA139.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
N-cyclopentyl-1,3-oxazole-4-carboxamide
CID 110689453
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide (CID 171710055) is formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide is CC(C)c1nccn1CCCNC(=O)C1CCC(NC(=O)c2cocn2)CC1.O=CO.
What is the InChIKey of formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AGYYQDVAJKEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3.CH2O2/c1-14(2)18-21-9-11-25(18)10-3-8-22-19(26)15-4-6-16(7-5-15)24-20(27)17-12-28-13-23-17;2-1-3/h9,11-16H,3-8,10H2,1-2H3,(H,22,26)(H,24,27);1H,(H,2,3).
What are the key properties of formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide?
formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[4-[3-(2-propan-2-ylimidazol-1-yl)propylcarbamoyl]cyclohexyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171710055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).