(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate

C14H22N2O3S — CID 88813501

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate
SMILESCCN(SC1CCCCC1)C(=O)OCc1cc(C)no1
InChIInChI=1S/C14H22N2O3S/c1-3-16(20-13-7-5-4-6-8-13)14(17)18-10-12-9-11(2)15-19-12/h9,13H,3-8,10H2,1-2H3
InChIKeyHPCBUFKZMUQRNS-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.92
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate

(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate (PubChem CID 88813501) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate
PubChem CID88813501
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate
SMILESCCN(SC1CCCCC1)C(=O)OCc1cc(C)no1
InChIInChI=1S/C14H22N2O3S/c1-3-16(20-13-7-5-4-6-8-13)14(17)18-10-12-9-11(2)15-19-12/h9,13H,3-8,10H2,1-2H3
InChIKeyHPCBUFKZMUQRNS-UHFFFAOYSA-N
XLogP3.92
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanamine
CID 355100
3-Methyl-5-(2-methylsulfanylethoxymethyl)-1,2-oxazole
CID 355101
1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
CID 12920332
(3-methyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88648371
(3-ethyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88648893
(3-propyl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88772882
(3-methyl-1,2-oxazol-5-yl)methyl N-(2-methyl-1-sulfanylpropyl)-N-propan-2-ylcarbamate
CID 88773286
(3-propan-2-yl-1,2-oxazol-5-yl)methyl N,N-bis(1-sulfanylpropan-2-yl)carbamate
CID 88773739
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
CID 91305946
Heptane;5-(methoxymethyl)-3-methyl-1,2-oxazole
CID 144572827
(3-Methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9380087
(3-Methyl-1,2-oxazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 33098216

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate (CID 88813501) is (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate is CCN(SC1CCCCC1)C(=O)OCc1cc(C)no1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate?
The InChIKey is HPCBUFKZMUQRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(20-13-7-5-4-6-8-13)14(17)18-10-12-9-11(2)15-19-12/h9,13H,3-8,10H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate?
(3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate has a molecular weight of 298.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl N-cyclohexylsulfanyl-N-ethylcarbamate is sourced from PubChem (CID 88813501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).