N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide

C12H18N6O2 — CID 122569923

IUPACN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)Cc1noc(CNC(=O)CCn2cnnc2)n1
InChIInChI=1S/C12H18N6O2/c1-9(2)5-10-16-12(20-17-10)6-13-11(19)3-4-18-7-14-15-8-18/h7-9H,3-6H2,1-2H3,(H,13,19)
InChIKeyRQVOZEPEVMQWDT-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.57
Rot. Bonds7

About N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide

N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide (PubChem CID 122569923) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
PubChem CID122569923
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C)Cc1noc(CNC(=O)CCn2cnnc2)n1
InChIInChI=1S/C12H18N6O2/c1-9(2)5-10-16-12(20-17-10)6-13-11(19)3-4-18-7-14-15-8-18/h7-9H,3-6H2,1-2H3,(H,13,19)
InChIKeyRQVOZEPEVMQWDT-UHFFFAOYSA-N
XLogP0.57
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 46992879
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1H-tetrazol-1-yl)butanamide
CID 122556090
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 124214405
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 124216655
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(3-methyl-4H-1,2,4-triazol-4-yl)ethanamine
CID 129611417
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 164629928
N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N'-[2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]urea
CID 122567807
N-({1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}methyl)-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 131918392
5-chloro-N-[1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 145933607
N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N'-1H-1,2,4-triazol-3-ylurea
CID 30921531
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1H-tetrazol-1-yl)acetamide
CID 46990725
1-[4-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56799874

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide (CID 122569923) is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide is CC(C)Cc1noc(CNC(=O)CCn2cnnc2)n1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is RQVOZEPEVMQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9(2)5-10-16-12(20-17-10)6-13-11(19)3-4-18-7-14-15-8-18/h7-9H,3-6H2,1-2H3,(H,13,19).
What are the key properties of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 278.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 122569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).