6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

C20H19N3O2 — CID 97021644

IUPAC6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O2/c1-13(20-21-12-18(25-20)14-5-3-2-4-6-14)22-16-8-9-17-15(11-16)7-10-19(24)23-17/h2-6,8-9,11-13,22H,7,10H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyVTZVBKNNKOTWDZ-CYBMUJFWSA-N
MW333.39 g/mol
LogP4.40
Rot. Bonds4

About 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 97021644) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID97021644
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O2/c1-13(20-21-12-18(25-20)14-5-3-2-4-6-14)22-16-8-9-17-15(11-16)7-10-19(24)23-17/h2-6,8-9,11-13,22H,7,10H2,1H3,(H,23,24)/t13-/m1/s1
InChIKeyVTZVBKNNKOTWDZ-CYBMUJFWSA-N
XLogP4.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308649
5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 71991004
5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one
CID 119033531
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86980186
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71991023
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
CID 99817504
6-[1-(5-ethylthiophen-2-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 61335706

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 97021644) is 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VTZVBKNNKOTWDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(20-21-12-18(25-20)14-5-3-2-4-6-14)22-16-8-9-17-15(11-16)7-10-19(24)23-17/h2-6,8-9,11-13,22H,7,10H2,1H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 333.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 97021644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).