1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine

C13H20N4OS — CID 106927164

IUPAC1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nc(Sc2c(CC(C)N)c(C)nn2C)oc1C
InChIInChI=1S/C13H20N4OS/c1-7(14)6-11-9(3)16-17(5)12(11)19-13-15-8(2)10(4)18-13/h7H,6,14H2,1-5H3
InChIKeyXQFKJWRJWSWPLY-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.37
Rot. Bonds4

About 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 106927164) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID106927164
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nc(Sc2c(CC(C)N)c(C)nn2C)oc1C
InChIInChI=1S/C13H20N4OS/c1-7(14)6-11-9(3)16-17(5)12(11)19-13-15-8(2)10(4)18-13/h7H,6,14H2,1-5H3
InChIKeyXQFKJWRJWSWPLY-UHFFFAOYSA-N
XLogP2.37
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine with MolForge

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Related Compounds

1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63818946
1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
CID 63817878
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817952
1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
CID 55262130
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
3-[4-(2-aminopropyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63820201
4-(2-aminopropyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 82965033
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 63785131
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
CID 106927874
1-[1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]butan-2-amine
CID 115384014
1-[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63817911

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 106927164) is 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine is Cc1nc(Sc2c(CC(C)N)c(C)nn2C)oc1C.
What is the InChIKey of 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is XQFKJWRJWSWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(14)6-11-9(3)16-17(5)12(11)19-13-15-8(2)10(4)18-13/h7H,6,14H2,1-5H3.
What are the key properties of 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 106927164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).