N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine

C15H21N3OS — CID 106926747

IUPACN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(Sc2ccc(CNC(C)(C)C)cn2)oc1C
InChIInChI=1S/C15H21N3OS/c1-10-11(2)19-14(18-10)20-13-7-6-12(8-16-13)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3
InChIKeyBOPRTNWCABCBHD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.73
Rot. Bonds4

About N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106926747) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106926747
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(Sc2ccc(CNC(C)(C)C)cn2)oc1C
InChIInChI=1S/C15H21N3OS/c1-10-11(2)19-14(18-10)20-13-7-6-12(8-16-13)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3
InChIKeyBOPRTNWCABCBHD-UHFFFAOYSA-N
XLogP3.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80650938
N-[[6-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114792367
2-methyl-N-[[6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650759
2-methyl-N-[[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-2-amine
CID 104604343
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80639399
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639371
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2-methylpropan-2-amine
CID 106924288

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106926747) is N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1nc(Sc2ccc(CNC(C)(C)C)cn2)oc1C.
What is the InChIKey of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BOPRTNWCABCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-11(2)19-14(18-10)20-13-7-6-12(8-16-13)9-17-15(3,4)5/h6-8,17H,9H2,1-5H3.
What are the key properties of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106926747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).