3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine

C14H22N2OS — CID 141063481

IUPAC3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(CC)CC)s1
InChIInChI=1S/C14H22N2OS/c1-4-10(5-2)16-12(9-14(15)17-16)13-8-7-11(6-3)18-13/h7-10,12H,4-6,15H2,1-3H3
InChIKeyKIVALPMUYSMJQO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.59
Rot. Bonds5

About 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine (PubChem CID 141063481) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine
PubChem CID141063481
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(CC)CC)s1
InChIInChI=1S/C14H22N2OS/c1-4-10(5-2)16-12(9-14(15)17-16)13-8-7-11(6-3)18-13/h7-10,12H,4-6,15H2,1-3H3
InChIKeyKIVALPMUYSMJQO-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethylthiophen-2-yl)-2-(6-methylheptan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063447
2-(cyclopropylmethyl)-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063458
2-(1,2-diphenylethyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063608
5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
2,5-diethylthiophene
CID 521294
5-(5-ethylthiophen-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79509806
3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453571
2-(2,2-dibromocyclopropyl)-5-ethylthiophene
CID 130539819
1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
CID 62622020
3-(5-ethylthiophen-2-yl)-1,4-thiazepane
CID 66219256
5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505287

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine (CID 141063481) is 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2C(CC)CC)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine?
The InChIKey is KIVALPMUYSMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-10(5-2)16-12(9-14(15)17-16)13-8-7-11(6-3)18-13/h7-10,12H,4-6,15H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine has a molecular weight of 266.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-pentan-3-yl-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).