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

C15H22N2OS — CID 52691160

IUPAC(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCc1noc(C)c1CN[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C15H22N2OS/c1-10-12(11(2)18-17-10)9-16-14(15(3,4)5)13-7-6-8-19-13/h6-8,14,16H,9H2,1-5H3/t14-/m1/s1
InChIKeyYOMIGJLBEGHCHT-CQSZACIVSA-N
MW278.42 g/mol
LogP4.23
Rot. Bonds4

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

(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 52691160) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
PubChem CID52691160
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCc1noc(C)c1CN[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C15H22N2OS/c1-10-12(11(2)18-17-10)9-16-14(15(3,4)5)13-7-6-8-19-13/h6-8,14,16H,9H2,1-5H3/t14-/m1/s1
InChIKeyYOMIGJLBEGHCHT-CQSZACIVSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 87022264
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]methyl]-7-methylchromen-2-one
CID 94454335
1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
CID 79231629
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (CID 52691160) is (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is Cc1noc(C)c1CN[C@H](c1cccs1)C(C)(C)C.
What is the InChIKey of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is YOMIGJLBEGHCHT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-12(11(2)18-17-10)9-16-14(15(3,4)5)13-7-6-8-19-13/h6-8,14,16H,9H2,1-5H3/t14-/m1/s1.
What are the key properties of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 52691160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).