ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine

C17H31N3O — CID 144612709

IUPACethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC.CC.CC1=CC=C(C2OC3=C(CNCC3)N2C)NC1
InChIInChI=1S/C13H19N3O.2C2H6/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13;2*1-2/h3-4,13-15H,5-8H2,1-2H3;2*1-2H3
InChIKeyRLSXSJKEOOZLHX-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.97
Rot. Bonds1

About ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine

ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 144612709) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID144612709
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Nameethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC.CC.CC1=CC=C(C2OC3=C(CNCC3)N2C)NC1
InChIInChI=1S/C13H19N3O.2C2H6/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13;2*1-2/h3-4,13-15H,5-8H2,1-2H3;2*1-2H3
InChIKeyRLSXSJKEOOZLHX-UHFFFAOYSA-N
XLogP2.97
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

ethane;(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282156
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane
CID 144852133
(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282157
3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
CID 144612710
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine
CID 144852134

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine (CID 144612709) is ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine is CC.CC.CC1=CC=C(C2OC3=C(CNCC3)N2C)NC1.
What is the InChIKey of ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is RLSXSJKEOOZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2C2H6/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13;2*1-2/h3-4,13-15H,5-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 293.46 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 144612709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).