[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea

C19H18N4O3 — CID 56759573

IUPAC[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H18N4O3/c20-19(25)21-10-17(24)23-9-8-16-15(11-23)18(22-26-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,20,21,25)
InChIKeyXBJCCTMFCNYJHW-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.05
Rot. Bonds3

About [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea

[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea (PubChem CID 56759573) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
PubChem CID56759573
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H18N4O3/c20-19(25)21-10-17(24)23-9-8-16-15(11-23)18(22-26-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,20,21,25)
InChIKeyXBJCCTMFCNYJHW-UHFFFAOYSA-N
XLogP2.05
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 42591648
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
CID 56869264
1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
CID 42158190
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 56757044
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
CID 56738395
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56760539
(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 56868970
2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one
CID 25449437
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56754916
3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one
CID 25365222

Frequently Asked Questions

What is the IUPAC name of [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea (CID 56759573) is [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea?
The InChIKey is XBJCCTMFCNYJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-19(25)21-10-17(24)23-9-8-16-15(11-23)18(22-26-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,20,21,25).
What are the key properties of [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea?
[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea has a molecular weight of 350.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea is sourced from PubChem (CID 56759573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).