(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate

C12H20N2O3S2 — CID 88648371

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCc1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C12H20N2O3S2/c1-8-4-11(17-13-8)5-16-12(15)14(9(2)6-18)10(3)7-19/h4,9-10,18-19H,5-7H2,1-3H3
InChIKeyNYVRPYIOFVPLOO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.56
Rot. Bonds6

About (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate

(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (PubChem CID 88648371) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
PubChem CID88648371
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
SMILESCc1cc(COC(=O)N(C(C)CS)C(C)CS)on1
InChIInChI=1S/C12H20N2O3S2/c1-8-4-11(17-13-8)5-16-12(15)14(9(2)6-18)10(3)7-19/h4,9-10,18-19H,5-7H2,1-3H3
InChIKeyNYVRPYIOFVPLOO-UHFFFAOYSA-N
XLogP2.56
TPSA55.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate (CID 88648371) is (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is Cc1cc(COC(=O)N(C(C)CS)C(C)CS)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
The InChIKey is NYVRPYIOFVPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8-4-11(17-13-8)5-16-12(15)14(9(2)6-18)10(3)7-19/h4,9-10,18-19H,5-7H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate?
(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate has a molecular weight of 304.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 88648371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).