N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C16H26N4O2S — CID 97318816

IUPACN-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H26N4O2S/c1-23-15-5-3-2-4-14(15)17-16(21)20-9-7-19(8-10-20)12-13-6-11-22-18-13/h6,11,14-15H,2-5,7-10,12H2,1H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyWFBODHNDGOVPOG-LSDHHAIUSA-N
MW338.48 g/mol
LogP2.18
Rot. Bonds4

About N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 97318816) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID97318816
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H26N4O2S/c1-23-15-5-3-2-4-14(15)17-16(21)20-9-7-19(8-10-20)12-13-6-11-22-18-13/h6,11,14-15H,2-5,7-10,12H2,1H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyWFBODHNDGOVPOG-LSDHHAIUSA-N
XLogP2.18
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
(2-methyloxan-3-yl)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 129000667
[(1R,2S)-2-aminocyclopentyl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 124699056
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
CID 71992266
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 42928325
N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990030
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 97318816) is N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WFBODHNDGOVPOG-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-23-15-5-3-2-4-14(15)17-16(21)20-9-7-19(8-10-20)12-13-6-11-22-18-13/h6,11,14-15H,2-5,7-10,12H2,1H3,(H,17,21)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97318816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).