(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C20H26N4O3 — CID 170504825

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C20H26N4O3/c25-20(15-10-21-23-18(15)13-4-2-1-3-5-13)24-8-6-17-16(11-24)22-19(27-17)14-7-9-26-12-14/h10,13-14H,1-9,11-12H2,(H,21,23)
InChIKeyICPOYVPTHHPLEH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.15
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170504825) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170504825
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C20H26N4O3/c25-20(15-10-21-23-18(15)13-4-2-1-3-5-13)24-8-6-17-16(11-24)22-19(27-17)14-7-9-26-12-14/h10,13-14H,1-9,11-12H2,(H,21,23)
InChIKeyICPOYVPTHHPLEH-UHFFFAOYSA-N
XLogP3.15
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

formic acid;6-methyl-3-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171709891
6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
(1-aminocyclobutyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511578
(3-fluoro-2-methoxyphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169416934
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 169416755
(5-ethylthiophen-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169417631
(3-methyl-1-benzofuran-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169411722
(4-methoxy-3-methylphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169413445
[4-(2-methyltetrazol-5-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419500
[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337051

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170504825) is (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCc2oc(C3CCOC3)nc2C1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ICPOYVPTHHPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(15-10-21-23-18(15)13-4-2-1-3-5-13)24-8-6-17-16(11-24)22-19(27-17)14-7-9-26-12-14/h10,13-14H,1-9,11-12H2,(H,21,23).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170504825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).