1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid

C19H19N3O4 — CID 166721840

IUPAC1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid
SMILESC=CCC(NC(=O)O)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1
InChIInChI=1S/C19H19N3O4/c1-4-5-14(22-19(23)24)18-20-10-17(26-18)13-8-12-7-6-11(2)21-15(12)9-16(13)25-3/h4,6-10,14,22H,1,5H2,2-3H3,(H,23,24)
InChIKeyBWOQWAUYQILJEL-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.09
Rot. Bonds6

About 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid

1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid (PubChem CID 166721840) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid.

Molecular Properties

Compound Name1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid
PubChem CID166721840
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid
SMILESC=CCC(NC(=O)O)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1
InChIInChI=1S/C19H19N3O4/c1-4-5-14(22-19(23)24)18-20-10-17(26-18)13-8-12-7-6-11(2)21-15(12)9-16(13)25-3/h4,6-10,14,22H,1,5H2,2-3H3,(H,23,24)
InChIKeyBWOQWAUYQILJEL-UHFFFAOYSA-N
XLogP4.09
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8S)-8-amino-1-cyclobutyl-8-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]octan-2-one
CID 162506794
(2S)-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide;(2S)-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 163547359
[(E)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,2-oxazol-3-yl]-6-[2-(1,2-oxazol-3-yl)-1,3-dioxolan-2-yl]hex-3-enyl]carbamic acid
CID 146317343
7-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;1-sulfanylazetidine-3-carboxamide
CID 153399809
(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506722
2-chloro-1-(7-methoxy-2-methylquinolin-6-yl)ethanone
CID 158346226
3-(4-hydroxypiperidin-4-yl)-2-imino-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 162506568
ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate
CID 145303860
1-(2,3-dimethoxy-7-nitroquinoxalin-5-yl)but-3-enylcarbamic acid
CID 18706415
(2S,4S)-4-fluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylpyrrolidine-2-carboxamide
CID 73055143
6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
CID 67061404
methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
CID 70983319

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid?
The IUPAC name of 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid (CID 166721840) is 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid.
What is the SMILES notation for 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid?
The canonical SMILES for 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid is C=CCC(NC(=O)O)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1.
What is the InChIKey of 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid?
The InChIKey is BWOQWAUYQILJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-4-5-14(22-19(23)24)18-20-10-17(26-18)13-8-12-7-6-11(2)21-15(12)9-16(13)25-3/h4,6-10,14,22H,1,5H2,2-3H3,(H,23,24).
What are the key properties of 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid?
1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid has a molecular weight of 353.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]but-3-enylcarbamic acid is sourced from PubChem (CID 166721840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).