(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate

C25H36N2O3 — CID 10201768

IUPAC(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1OC(=O)CNc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H36N2O3/c1-24(2,3)18-13-10-14-19(25(4,5)6)22(18)30-21(28)16-27-23-26-15-20(29-23)17-11-8-7-9-12-17/h7-9,11-12,15,18-19,22H,10,13-14,16H2,1-6H3,(H,26,27)
InChIKeyDSOAQLYSQVJSAL-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.17
Rot. Bonds5

About (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate

(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate (PubChem CID 10201768) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate.

Molecular Properties

Compound Name(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate
PubChem CID10201768
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1OC(=O)CNc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H36N2O3/c1-24(2,3)18-13-10-14-19(25(4,5)6)22(18)30-21(28)16-27-23-26-15-20(29-23)17-11-8-7-9-12-17/h7-9,11-12,15,18-19,22H,10,13-14,16H2,1-6H3,(H,26,27)
InChIKeyDSOAQLYSQVJSAL-UHFFFAOYSA-N
XLogP6.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate with MolForge

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Related Compounds

N-tert-butyl-5-phenyl-1,3-oxazol-2-amine
CID 12707556
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
CID 178134807
tert-butyl 4-[(2S)-2-cyclopropyl-2-[(5-phenyl-1,3-oxazol-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 142509390
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
CID 83389105
2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
CID 43619774
tert-butyl N-methyl-N-[1-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]piperidin-4-yl]carbamate
CID 86898911
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(2R)-oxolan-2-yl]acetate
CID 95141072
sodium 5-phenyl-1,3-oxazole-2-carboxylate
CID 71755872

Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate?
The IUPAC name of (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate (CID 10201768) is (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate.
What is the SMILES notation for (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate?
The canonical SMILES for (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate is CC(C)(C)C1CCCC(C(C)(C)C)C1OC(=O)CNc1ncc(-c2ccccc2)o1.
What is the InChIKey of (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate?
The InChIKey is DSOAQLYSQVJSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-24(2,3)18-13-10-14-19(25(4,5)6)22(18)30-21(28)16-27-23-26-15-20(29-23)17-11-8-7-9-12-17/h7-9,11-12,15,18-19,22H,10,13-14,16H2,1-6H3,(H,26,27).
What are the key properties of (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate?
(2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate has a molecular weight of 412.57 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butylcyclohexyl) 2-[(5-phenyl-1,3-oxazol-2-yl)amino]acetate is sourced from PubChem (CID 10201768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).