(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C14H21N3OS — CID 164638220

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCc1nc(CNC[C@H](C)c2c(C)noc2C)sc1C
InChIInChI=1S/C14H21N3OS/c1-8(14-10(3)17-18-11(14)4)6-15-7-13-16-9(2)12(5)19-13/h8,15H,6-7H2,1-5H3/t8-/m0/s1
InChIKeySSSQSHASAYWYFQ-QMMMGPOBSA-N
MW279.41 g/mol
LogP3.26
Rot. Bonds5

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 164638220) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID164638220
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCc1nc(CNC[C@H](C)c2c(C)noc2C)sc1C
InChIInChI=1S/C14H21N3OS/c1-8(14-10(3)17-18-11(14)4)6-15-7-13-16-9(2)12(5)19-13/h8,15H,6-7H2,1-5H3/t8-/m0/s1
InChIKeySSSQSHASAYWYFQ-QMMMGPOBSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 164638220) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is Cc1nc(CNC[C@H](C)c2c(C)noc2C)sc1C.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is SSSQSHASAYWYFQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-8(14-10(3)17-18-11(14)4)6-15-7-13-16-9(2)12(5)19-13/h8,15H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 164638220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).