2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline

C17H18N2OS — CID 78833688

IUPAC2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(-c3cccs3)oc2C)c1C
InChIInChI=1S/C17H18N2OS/c1-11-6-4-7-14(12(11)2)18-10-15-13(3)20-17(19-15)16-8-5-9-21-16/h4-9,18H,10H2,1-3H3
InChIKeyDPRZEOIQBQFUFW-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.94
Rot. Bonds4

About 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline

2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (PubChem CID 78833688) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
PubChem CID78833688
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(-c3cccs3)oc2C)c1C
InChIInChI=1S/C17H18N2OS/c1-11-6-4-7-14(12(11)2)18-10-15-13(3)20-17(19-15)16-8-5-9-21-16/h4-9,18H,10H2,1-3H3
InChIKeyDPRZEOIQBQFUFW-UHFFFAOYSA-N
XLogP4.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833686
2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833758
2-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitroaniline
CID 78833748
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 75502429
3-methyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468711
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31759523
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 24619139
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (CID 78833688) is 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is Cc1cccc(NCc2nc(-c3cccs3)oc2C)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The InChIKey is DPRZEOIQBQFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-6-4-7-14(12(11)2)18-10-15-13(3)20-17(19-15)16-8-5-9-21-16/h4-9,18H,10H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline has a molecular weight of 298.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is sourced from PubChem (CID 78833688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).