N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide

C17H25N3O3 — CID 99784860

IUPACN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide
SMILESCc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1
InChIInChI=1S/C17H25N3O3/c1-9-4-7-13(8-10(9)2)18-16(21)17(22)19-14-11(3)20-23-15(14)12-5-6-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,13-/m1/s1
InChIKeyMQBBBJMIRSHEKH-GIPNMCIBSA-N
MW319.41 g/mol
LogP2.74
Rot. Bonds3

About N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide

N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide (PubChem CID 99784860) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide
PubChem CID99784860
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide
SMILESCc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1
InChIInChI=1S/C17H25N3O3/c1-9-4-7-13(8-10(9)2)18-16(21)17(22)19-14-11(3)20-23-15(14)12-5-6-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,13-/m1/s1
InChIKeyMQBBBJMIRSHEKH-GIPNMCIBSA-N
XLogP2.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
CID 75407605
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide
CID 75484697
cis-(1S,3R)-3-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066770
N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide
CID 91648559
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
2-cyclopropyl-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 127905011
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(4-methylthiadiazol-5-yl)methyl]urea
CID 138011695
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
4-cyclohexyloxy-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzamide
CID 127885386
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
CID 99592728
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide?
The IUPAC name of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide (CID 99784860) is N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide.
What is the SMILES notation for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide?
The canonical SMILES for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide is Cc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1.
What is the InChIKey of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide?
The InChIKey is MQBBBJMIRSHEKH-GIPNMCIBSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-9-4-7-13(8-10(9)2)18-16(21)17(22)19-14-11(3)20-23-15(14)12-5-6-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,21)(H,19,22)/t9-,10-,13-/m1/s1.
What are the key properties of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide?
N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide has a molecular weight of 319.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-[(1R,3R,4R)-3,4-dimethylcyclohexyl]oxamide is sourced from PubChem (CID 99784860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).