N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

C12H13N3O — CID 83886680

IUPACN-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nnc(NC3CC3)o2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-9(7-8)11-14-15-12(16-11)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H,13,15)
InChIKeyBKXZESWJTDXQGC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.62
Rot. Bonds3

About N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 83886680) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID83886680
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nnc(NC3CC3)o2)c1
InChIInChI=1S/C12H13N3O/c1-8-3-2-4-9(7-8)11-14-15-12(16-11)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H,13,15)
InChIKeyBKXZESWJTDXQGC-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 167851989
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16854778
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
3-[5-[(1,1-dioxothiolan-3-yl)amino]-1,3,4-oxadiazol-2-yl]phenol
CID 110456257
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 83886680) is N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cccc(-c2nnc(NC3CC3)o2)c1.
What is the InChIKey of N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BKXZESWJTDXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-2-4-9(7-8)11-14-15-12(16-11)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 83886680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).