N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide

C22H29N3O3 — CID 59420472

IUPACN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)no1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)18-14-19(25-28-18)24-20(26)13-15-9-11-17(12-10-15)23-21(27)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUGFPPBQLPBGADP-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.67
Rot. Bonds5

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide (PubChem CID 59420472) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
PubChem CID59420472
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)no1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)18-14-19(25-28-18)24-20(26)13-15-9-11-17(12-10-15)23-21(27)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUGFPPBQLPBGADP-UHFFFAOYSA-N
XLogP4.67
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
CID 59420539
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 59420452

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide (CID 59420472) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)no1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is UGFPPBQLPBGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)18-14-19(25-28-18)24-20(26)13-15-9-11-17(12-10-15)23-21(27)16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 59420472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).