N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine

C18H36N6O2 — CID 162464400

IUPACN-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
SMILESCC1CC(C2NC(C3CCC([C@@H](C)NC4CNCCN4)CC3)NO2)ON1
InChIInChI=1S/C18H36N6O2/c1-11-9-15(25-23-11)18-22-17(24-26-18)14-5-3-13(4-6-14)12(2)21-16-10-19-7-8-20-16/h11-24H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyMOMISPDSFIWECE-IBTOBYAESA-N
MW368.53 g/mol
LogP-0.25
Rot. Bonds5

About N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine

N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine (PubChem CID 162464400) has the molecular formula C18H36N6O2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
PubChem CID162464400
Molecular FormulaC18H36N6O2
Molecular Weight368.53 g/mol
Exact Mass368.29
IUPAC NameN-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
SMILESCC1CC(C2NC(C3CCC([C@@H](C)NC4CNCCN4)CC3)NO2)ON1
InChIInChI=1S/C18H36N6O2/c1-11-9-15(25-23-11)18-22-17(24-26-18)14-5-3-13(4-6-14)12(2)21-16-10-19-7-8-20-16/h11-24H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyMOMISPDSFIWECE-IBTOBYAESA-N
XLogP-0.25
TPSA90.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 5-0.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine
CID 162464370
N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
CID 162464397
N-propan-2-ylpiperazin-2-amine
CID 90744079
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
(1S)-5-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)-N-(2-methylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carboxamide
CID 162461365
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
2-methylpiperazine;hydrate
CID 141084178
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The IUPAC name of N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine (CID 162464400) is N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine is CC1CC(C2NC(C3CCC([C@@H](C)NC4CNCCN4)CC3)NO2)ON1.
What is the InChIKey of N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
The InChIKey is MOMISPDSFIWECE-IBTOBYAESA-N. The full InChI is InChI=1S/C18H36N6O2/c1-11-9-15(25-23-11)18-22-17(24-26-18)14-5-3-13(4-6-14)12(2)21-16-10-19-7-8-20-16/h11-24H,3-10H2,1-2H3/t11?,12-,13?,14?,15?,16?,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine?
N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine has a molecular weight of 368.53 g/mol, XLogP of -0.25, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine is sourced from PubChem (CID 162464400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).