3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide

C16H26N2O2 — CID 110415381

IUPAC3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-11-13(14(18-20-11)16(2,3)4)15(19)17-12-9-7-5-6-8-10-12/h12H,5-10H2,1-4H3,(H,17,19)
InChIKeyUPPDWBMCNJREIS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.73
Rot. Bonds2

About 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide

3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110415381) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110415381
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-11-13(14(18-20-11)16(2,3)4)15(19)17-12-9-7-5-6-8-10-12/h12H,5-10H2,1-4H3,(H,17,19)
InChIKeyUPPDWBMCNJREIS-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110625090
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
3-tert-butyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110419534
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide (CID 110415381) is 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NC1CCCCCC1.
What is the InChIKey of 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UPPDWBMCNJREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-13(14(18-20-11)16(2,3)4)15(19)17-12-9-7-5-6-8-10-12/h12H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110415381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).