N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide

C14H21N5O2 — CID 118772891

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCC(C)(C)c1noc(CNC(=O)CCCn2cccn2)n1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)13-17-12(21-18-13)10-15-11(20)6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20)
InChIKeyMNNWAZYENYISEZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds6

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 118772891) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
PubChem CID118772891
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESCC(C)(C)c1noc(CNC(=O)CCCn2cccn2)n1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)13-17-12(21-18-13)10-15-11(20)6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20)
InChIKeyMNNWAZYENYISEZ-UHFFFAOYSA-N
XLogP1.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 58523710
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 56779253
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 118772293
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 55679474
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
CID 119357108
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
CID 71708879

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide (CID 118772891) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide is CC(C)(C)c1noc(CNC(=O)CCCn2cccn2)n1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is MNNWAZYENYISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)13-17-12(21-18-13)10-15-11(20)6-4-8-19-9-5-7-16-19/h5,7,9H,4,6,8,10H2,1-3H3,(H,15,20).
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 291.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 118772891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).