(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C19H29N5O2 — CID 129475139

IUPAC(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1noc(C2CCC(N[C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-18-22-19(26-23-18)13-4-6-14(7-5-13)21-15-8-9-25-17(10-15)16-11-20-12-24(16)2/h11-15,17,21H,3-10H2,1-2H3/t13?,14?,15-,17-/m1/s1
InChIKeyQQPWQZANQSBCMO-OCUYMYNFSA-N
MW359.47 g/mol
LogP2.90
Rot. Bonds5

About (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 129475139) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID129475139
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1noc(C2CCC(N[C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-18-22-19(26-23-18)13-4-6-14(7-5-13)21-15-8-9-25-17(10-15)16-11-20-12-24(16)2/h11-15,17,21H,3-10H2,1-2H3/t13?,14?,15-,17-/m1/s1
InChIKeyQQPWQZANQSBCMO-OCUYMYNFSA-N
XLogP2.90
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[(1S,3R)-3-methylcyclohexyl]-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]piperidin-4-amine
CID 129335818
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 167753178
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
(2S,4R)-2-(3-methylimidazol-4-yl)-N-[(1R,2R)-2-phenylcyclohexyl]oxan-4-amine
CID 126454579
(2S,4R)-2-(3-methylimidazol-4-yl)-N-[(1S,2R)-2-phenylcyclohexyl]oxan-4-amine
CID 126454576
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129473939
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 129475139) is (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is CCc1noc(C2CCC(N[C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)n1.
What is the InChIKey of (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is QQPWQZANQSBCMO-OCUYMYNFSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-18-22-19(26-23-18)13-4-6-14(7-5-13)21-15-8-9-25-17(10-15)16-11-20-12-24(16)2/h11-15,17,21H,3-10H2,1-2H3/t13?,14?,15-,17-/m1/s1.
What are the key properties of (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 359.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 129475139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).