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

C14H21N3OS — CID 71868959

IUPACN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1ncc(C(C)C)o1)c1nccs1
InChIInChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3
InChIKeyPSSRPMWNDJDSSG-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.67
Rot. Bonds6

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

N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 71868959) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID71868959
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1ncc(C(C)C)o1)c1nccs1
InChIInChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3
InChIKeyPSSRPMWNDJDSSG-UHFFFAOYSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (CID 71868959) is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is CCC(C)(NCc1ncc(C(C)C)o1)c1nccs1.
What is the InChIKey of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is PSSRPMWNDJDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3.
What are the key properties of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 71868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).