1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C14H15N5O — CID 62329913

IUPAC1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCc1ccc(Cc2noc(Cn3cc(N)cn3)n2)cc1
InChIInChI=1S/C14H15N5O/c1-10-2-4-11(5-3-10)6-13-17-14(20-18-13)9-19-8-12(15)7-16-19/h2-5,7-8H,6,9,15H2,1H3
InChIKeyPGDIWNIGWIBGKC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.80
Rot. Bonds4

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

1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 62329913) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID62329913
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCc1ccc(Cc2noc(Cn3cc(N)cn3)n2)cc1
InChIInChI=1S/C14H15N5O/c1-10-2-4-11(5-3-10)6-13-17-14(20-18-13)9-19-8-12(15)7-16-19/h2-5,7-8H,6,9,15H2,1H3
InChIKeyPGDIWNIGWIBGKC-UHFFFAOYSA-N
XLogP1.80
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62552548
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65130997
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632012
4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 62329913) is 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Cc1ccc(Cc2noc(Cn3cc(N)cn3)n2)cc1.
What is the InChIKey of 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is PGDIWNIGWIBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-2-4-11(5-3-10)6-13-17-14(20-18-13)9-19-8-12(15)7-16-19/h2-5,7-8H,6,9,15H2,1H3.
What are the key properties of 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 269.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 62329913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).