3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine

C12H10N2OS — CID 61406979

IUPAC3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(-c2cc3ccccc3s2)noc1N
InChIInChI=1S/C12H10N2OS/c1-7-11(14-15-12(7)13)10-6-8-4-2-3-5-9(8)16-10/h2-6H,13H2,1H3
InChIKeyMLPRIENDHDKVRQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine

3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 61406979) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
PubChem CID61406979
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(-c2cc3ccccc3s2)noc1N
InChIInChI=1S/C12H10N2OS/c1-7-11(14-15-12(7)13)10-6-8-4-2-3-5-9(8)16-10/h2-6H,13H2,1H3
InChIKeyMLPRIENDHDKVRQ-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine (CID 61406979) is 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine is Cc1c(-c2cc3ccccc3s2)noc1N.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is MLPRIENDHDKVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-11(14-15-12(7)13)10-6-8-4-2-3-5-9(8)16-10/h2-6H,13H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 61406979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).