N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

C14H17N3O2 — CID 110393000

IUPACN-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nnc(C(C)C)o2)c1
InChIInChI=1S/C14H17N3O2/c1-9(2)13-16-17-14(19-13)12(18)15-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyWIIRFCRQROLFDR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393000) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393000
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nnc(C(C)C)o2)c1
InChIInChI=1S/C14H17N3O2/c1-9(2)13-16-17-14(19-13)12(18)15-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyWIIRFCRQROLFDR-UHFFFAOYSA-N
XLogP2.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
(3-methylphenyl)methylurea
CID 60776531
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 110393000) is N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(CNC(=O)c2nnc(C(C)C)o2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WIIRFCRQROLFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)13-16-17-14(19-13)12(18)15-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).