N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C16H27N3O2 — CID 124742438

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1
InChIInChI=1S/C16H27N3O2/c1-4-6-14-18-16(21-19-14)10-9-15(20)17-13-8-5-7-11(2)12(13)3/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12+,13+/m0/s1
InChIKeyXYIYBHYXCKPSMQ-YNEHKIRRSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds6

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 124742438) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID124742438
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1
InChIInChI=1S/C16H27N3O2/c1-4-6-14-18-16(21-19-14)10-9-15(20)17-13-8-5-7-11(2)12(13)3/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12+,13+/m0/s1
InChIKeyXYIYBHYXCKPSMQ-YNEHKIRRSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
N-[2-(hydroxymethyl)cyclopentyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103774119
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 28689919
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51729245
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
N-[(3R)-2-oxoazepan-3-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 95126957
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547105
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351008

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 124742438) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XYIYBHYXCKPSMQ-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-6-14-18-16(21-19-14)10-9-15(20)17-13-8-5-7-11(2)12(13)3/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 124742438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).