N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C15H24N2O2S — CID 106372862

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCc1nc(CNC2CCOC3(CCSCC3)C2)oc1C
InChIInChI=1S/C15H24N2O2S/c1-11-12(2)19-14(17-11)10-16-13-3-6-18-15(9-13)4-7-20-8-5-15/h13,16H,3-10H2,1-2H3
InChIKeyIIDUBIOYBADXBC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 106372862) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID106372862
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCc1nc(CNC2CCOC3(CCSCC3)C2)oc1C
InChIInChI=1S/C15H24N2O2S/c1-11-12(2)19-14(17-11)10-16-13-3-6-18-15(9-13)4-7-20-8-5-15/h13,16H,3-10H2,1-2H3
InChIKeyIIDUBIOYBADXBC-UHFFFAOYSA-N
XLogP2.83
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033067
N-[(2-methylpyrimidin-4-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895637
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
N-[(4-bromothiophen-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903525
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
(5S,9S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129429099
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 106372862) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is Cc1nc(CNC2CCOC3(CCSCC3)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is IIDUBIOYBADXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-12(2)19-14(17-11)10-16-13-3-6-18-15(9-13)4-7-20-8-5-15/h13,16H,3-10H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 106372862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).