N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide

C21H35N3O3 — CID 90773012

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
SMILESCOC1CCC(CN2CCCCC2C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2,3)18-13-19(23-27-18)22-20(25)17-7-5-6-12-24(17)14-15-8-10-16(26-4)11-9-15/h13,15-17H,5-12,14H2,1-4H3,(H,22,23,25)
InChIKeyVJIMYUJSKUYIKS-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.97
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide (PubChem CID 90773012) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
PubChem CID90773012
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
SMILESCOC1CCC(CN2CCCCC2C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2,3)18-13-19(23-27-18)22-20(25)17-7-5-6-12-24(17)14-15-8-10-16(26-4)11-9-15/h13,15-17H,5-12,14H2,1-4H3,(H,22,23,25)
InChIKeyVJIMYUJSKUYIKS-UHFFFAOYSA-N
XLogP3.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(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-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-methoxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide
CID 59143438
1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
CID 135291988
1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044422
(2S)-1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044282
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide (CID 90773012) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide is COC1CCC(CN2CCCCC2C(=O)Nc2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide?
The InChIKey is VJIMYUJSKUYIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-21(2,3)18-13-19(23-27-18)22-20(25)17-7-5-6-12-24(17)14-15-8-10-16(26-4)11-9-15/h13,15-17H,5-12,14H2,1-4H3,(H,22,23,25).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 90773012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).