2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile

C11H15N3OS — CID 106924789

IUPAC2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nc(SCC(N)(C#N)C2CC2)oc1C
InChIInChI=1S/C11H15N3OS/c1-7-8(2)15-10(14-7)16-6-11(13,5-12)9-3-4-9/h9H,3-4,6,13H2,1-2H3
InChIKeyURVHSHSVPFDXQD-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile

2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile (PubChem CID 106924789) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
PubChem CID106924789
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nc(SCC(N)(C#N)C2CC2)oc1C
InChIInChI=1S/C11H15N3OS/c1-7-8(2)15-10(14-7)16-6-11(13,5-12)9-3-4-9/h9H,3-4,6,13H2,1-2H3
InChIKeyURVHSHSVPFDXQD-UHFFFAOYSA-N
XLogP2.01
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 106922549
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
CID 75381666
N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 75414595
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,2-dimethylpentanenitrile
CID 103721506
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]butanenitrile
CID 104986028
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,2-dimethylhexanenitrile
CID 106832426
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine
CID 106922234
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine
CID 106922342
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-methylcyclohexane-1-carbonitrile
CID 106922547
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]butanenitrile
CID 106922548
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
CID 106922550

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile (CID 106924789) is 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile is Cc1nc(SCC(N)(C#N)C2CC2)oc1C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile?
The InChIKey is URVHSHSVPFDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-8(2)15-10(14-7)16-6-11(13,5-12)9-3-4-9/h9H,3-4,6,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile?
2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile has a molecular weight of 237.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile is sourced from PubChem (CID 106924789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).