4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C16H15N3OS — CID 114915917

IUPAC4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(C3(c4ccccc4)CC3)no2)c1N
InChIInChI=1S/C16H15N3OS/c1-10-9-21-13(12(10)17)14-18-15(19-20-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8,17H2,1H3
InChIKeyIWQNNSMTUVGKGM-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.77
Rot. Bonds3

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

4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 114915917) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID114915917
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(C3(c4ccccc4)CC3)no2)c1N
InChIInChI=1S/C16H15N3OS/c1-10-9-21-13(12(10)17)14-18-15(19-20-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8,17H2,1H3
InChIKeyIWQNNSMTUVGKGM-UHFFFAOYSA-N
XLogP3.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63080018
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 114915842
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 55181154
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915968
[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 55181346
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114916026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 114915917) is 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is Cc1csc(-c2nc(C3(c4ccccc4)CC3)no2)c1N.
What is the InChIKey of 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is IWQNNSMTUVGKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-9-21-13(12(10)17)14-18-15(19-20-14)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8,17H2,1H3.
What are the key properties of 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 297.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 114915917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).