N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide

C14H15N3O2 — CID 110319376

IUPACN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cccc(-c2nnc(CNC(=O)C3CC3)o2)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-2-4-11(7-9)14-17-16-12(19-14)8-15-13(18)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,18)
InChIKeyNLBBMSVRFPARRP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds4

About N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide

N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 110319376) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID110319376
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cccc(-c2nnc(CNC(=O)C3CC3)o2)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-2-4-11(7-9)14-17-16-12(19-14)8-15-13(18)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,18)
InChIKeyNLBBMSVRFPARRP-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110319445
2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319392
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
CID 110319446
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92576796

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide (CID 110319376) is N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide is Cc1cccc(-c2nnc(CNC(=O)C3CC3)o2)c1.
What is the InChIKey of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is NLBBMSVRFPARRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-2-4-11(7-9)14-17-16-12(19-14)8-15-13(18)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,18).
What are the key properties of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 110319376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).