N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C20H19FN2O4 — CID 154966766

IUPACN-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(C3=CNCO3)c(F)c1)CO2
InChIInChI=1S/C20H19FN2O4/c1-25-15-3-5-18-12(7-15)6-13(10-26-18)20(24)23-14-2-4-16(17(21)8-14)19-9-22-11-27-19/h2-5,7-9,13,22H,6,10-11H2,1H3,(H,23,24)
InChIKeyVAWYROIIYAFMKO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.90
Rot. Bonds4

About N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 154966766) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID154966766
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(C3=CNCO3)c(F)c1)CO2
InChIInChI=1S/C20H19FN2O4/c1-25-15-3-5-18-12(7-15)6-13(10-26-18)20(24)23-14-2-4-16(17(21)8-14)19-9-22-11-27-19/h2-5,7-9,13,22H,6,10-11H2,1H3,(H,23,24)
InChIKeyVAWYROIIYAFMKO-UHFFFAOYSA-N
XLogP2.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
N-[3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310770
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
6-fluoro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571682
(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124592184
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 156584796
6-chloro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571731

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 154966766) is N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(C3=CNCO3)c(F)c1)CO2.
What is the InChIKey of N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VAWYROIIYAFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-25-15-3-5-18-12(7-15)6-13(10-26-18)20(24)23-14-2-4-16(17(21)8-14)19-9-22-11-27-19/h2-5,7-9,13,22H,6,10-11H2,1H3,(H,23,24).
What are the key properties of N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 154966766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).