oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate

C14H20N2O3S — CID 119040587

IUPACoxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCc1cnc(C(NC(=O)OC2CCOCC2)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-9-8-15-13(20-9)12(10-2-3-10)16-14(17)19-11-4-6-18-7-5-11/h8,10-12H,2-7H2,1H3,(H,16,17)
InChIKeyYNIOQDFXRKSDQO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.81
Rot. Bonds4

About oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate

oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 119040587) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID119040587
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameoxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCc1cnc(C(NC(=O)OC2CCOCC2)C2CC2)s1
InChIInChI=1S/C14H20N2O3S/c1-9-8-15-13(20-9)12(10-2-3-10)16-14(17)19-11-4-6-18-7-5-11/h8,10-12H,2-7H2,1H3,(H,16,17)
InChIKeyYNIOQDFXRKSDQO-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 96566132
1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95967933
(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 95981984
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801109
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508025
3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 95967844
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111508030
cis-(1S,2R)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 98768916
cis-(1R,2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95981978
3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111508024
1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 124852088
1-[(1-cyclopropylcyclobutyl)methyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 127643448

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate (CID 119040587) is oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate is Cc1cnc(C(NC(=O)OC2CCOCC2)C2CC2)s1.
What is the InChIKey of oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is YNIOQDFXRKSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-8-15-13(20-9)12(10-2-3-10)16-14(17)19-11-4-6-18-7-5-11/h8,10-12H,2-7H2,1H3,(H,16,17).
What are the key properties of oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate?
oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 119040587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).