5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine

C14H16N2OS — CID 79942657

IUPAC5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine
SMILESCC1CC(Nc2ccc(-c3cnco3)cc2)CS1
InChIInChI=1S/C14H16N2OS/c1-10-6-13(8-18-10)16-12-4-2-11(3-5-12)14-7-15-9-17-14/h2-5,7,9-10,13,16H,6,8H2,1H3
InChIKeyRMTWDRYUCCYJRB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.65
Rot. Bonds3

About 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine

5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine (PubChem CID 79942657) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine
PubChem CID79942657
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine
SMILESCC1CC(Nc2ccc(-c3cnco3)cc2)CS1
InChIInChI=1S/C14H16N2OS/c1-10-6-13(8-18-10)16-12-4-2-11(3-5-12)14-7-15-9-17-14/h2-5,7,9-10,13,16H,6,8H2,1H3
InChIKeyRMTWDRYUCCYJRB-UHFFFAOYSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Phenyl-1,3-oxazol-2-yl)aniline
CID 854968
N1-[4-(1,3-oxazol-5-yl)phenyl]benzene-1-sulfonamide
CID 2806353
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
3-methoxy-4-oxazol-5-yl-N-(2-thienylmethyl)aniline
CID 71736826
(2R)-2-amino-N-[3-ethyl-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117799712
(2R)-2-amino-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117813260
(R)-2-amino-N-(3-cyano-4-(oxazol-5-yl)phenyl)-4-methylpentanamide
CID 117813496
(R)-2-amino-4-methyl-N-(3-methyl-4-(oxazol-5-yl)phenyl)pentanamide
CID 117813704

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine (CID 79942657) is 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine is CC1CC(Nc2ccc(-c3cnco3)cc2)CS1.
What is the InChIKey of 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine?
The InChIKey is RMTWDRYUCCYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-6-13(8-18-10)16-12-4-2-11(3-5-12)14-7-15-9-17-14/h2-5,7,9-10,13,16H,6,8H2,1H3.
What are the key properties of 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine?
5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine has a molecular weight of 260.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]thiolan-3-amine is sourced from PubChem (CID 79942657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).