(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

C19H31N3O2 — CID 155873407

IUPAC(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CCC(C(=O)N2CCc3onc(CN(C)C(C)C)c3C2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)21(4)12-17-16-11-22(10-9-18(16)24-20-17)19(23)15-7-5-14(3)6-8-15/h13-15H,5-12H2,1-4H3
InChIKeyHYSVABYKSHUODI-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.23
Rot. Bonds4

About (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 155873407) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID155873407
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1CCC(C(=O)N2CCc3onc(CN(C)C(C)C)c3C2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)21(4)12-17-16-11-22(10-9-18(16)24-20-17)19(23)15-7-5-14(3)6-8-15/h13-15H,5-12H2,1-4H3
InChIKeyHYSVABYKSHUODI-UHFFFAOYSA-N
XLogP3.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 155873407) is (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is CC1CCC(C(=O)N2CCc3onc(CN(C)C(C)C)c3C2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HYSVABYKSHUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)21(4)12-17-16-11-22(10-9-18(16)24-20-17)19(23)15-7-5-14(3)6-8-15/h13-15H,5-12H2,1-4H3.
What are the key properties of (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 155873407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).