N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C12H18N6O2 — CID 64511070

IUPACN-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCCc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C12H18N6O2/c1-3-4-9-15-11(20-17-9)5-6-12(19)18(2)7-10-13-8-14-16-10/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyFGJKTZPTLIRVHB-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.73
Rot. Bonds7

About N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511070) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511070
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCCc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C12H18N6O2/c1-3-4-9-15-11(20-17-9)5-6-12(19)18(2)7-10-13-8-14-16-10/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyFGJKTZPTLIRVHB-UHFFFAOYSA-N
XLogP0.73
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43102003
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 119058504
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864318
1-({5-[2-(3-chloro-1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine
CID 56702570
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 176066739
3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 29078367
(1R)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274006
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274008
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 45818405
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 46990915
N-cyclopentyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 47089087
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883484

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511070) is N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CCCc1noc(CCC(=O)N(C)Cc2ncn[nH]2)n1.
What is the InChIKey of N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is FGJKTZPTLIRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-4-9-15-11(20-17-9)5-6-12(19)18(2)7-10-13-8-14-16-10/h8H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 278.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).