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

C22H22N2O3 — CID 56741873

IUPAC(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C22H22N2O3/c1-2-14-26-19-11-7-6-10-17(19)22(25)24-13-12-20-18(15-24)21(23-27-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyFHCOQYGPJQYAJP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.33
Rot. Bonds5

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

(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone (PubChem CID 56741873) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone
PubChem CID56741873
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)N1CCc2onc(-c3ccccc3)c2C1
InChIInChI=1S/C22H22N2O3/c1-2-14-26-19-11-7-6-10-17(19)22(25)24-13-12-20-18(15-24)21(23-27-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyFHCOQYGPJQYAJP-UHFFFAOYSA-N
XLogP4.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135339817
2-Ethyl-7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3,4-dihydroisoquinolin-1-one
CID 135339856
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(diethylamino)ethoxy]phenyl]prop-2-enenitrile;hydrochloride
CID 12793375
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[3-(dimethylamino)propoxy]phenyl]prop-2-enenitrile;hydrochloride
CID 12793390
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(3-piperidin-1-ylpropoxy)phenyl]prop-2-enenitrile;hydrochloride
CID 12793392
(Z)-3-[2-[3-(azepan-1-yl)propoxy]phenyl]-2-(1,2-benzoxazol-3-yl)prop-2-enenitrile;hydrochloride
CID 12793394
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(3-morpholin-4-ylpropoxy)phenyl]prop-2-enenitrile;hydrochloride
CID 12793396
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(4-morpholin-4-ylbutoxy)phenyl]prop-2-enenitrile;hydrochloride
CID 12793398
(Z)-2-(1,2-benzoxazol-3-yl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]prop-2-enenitrile;hydrochloride
CID 12793406
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]phenyl]prop-2-enenitrile iodide
CID 12793477
(Z)-2-(5-methoxy-1,2-benzoxazol-3-yl)-3-[2-(3-piperidin-1-ylpropoxy)phenyl]prop-2-enenitrile;hydrate;hydrochloride
CID 49860177
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(dimethylamino)ethoxy]phenyl]prop-2-enenitrile;hydrate;hydrochloride
CID 49860180

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone?
The IUPAC name of (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone (CID 56741873) is (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)N1CCc2onc(-c3ccccc3)c2C1.
What is the InChIKey of (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone?
The InChIKey is FHCOQYGPJQYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-14-26-19-11-7-6-10-17(19)22(25)24-13-12-20-18(15-24)21(23-27-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone?
(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone has a molecular weight of 362.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 56741873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).