(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

C19H14ClFN2O3 — CID 175866913

IUPAC(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@H]1COc2cc(F)ccc2C1
InChIInChI=1S/C19H14ClFN2O3/c20-16-7-14(3-4-15(16)18-8-22-10-26-18)23-19(24)12-5-11-1-2-13(21)6-17(11)25-9-12/h1-4,6-8,10,12H,5,9H2,(H,23,24)/t12-/m1/s1
InChIKeyJMKUNXHWGRYCGV-GFCCVEGCSA-N
MW372.78 g/mol
LogP4.32
Rot. Bonds3

About (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 175866913) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID175866913
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@H]1COc2cc(F)ccc2C1
InChIInChI=1S/C19H14ClFN2O3/c20-16-7-14(3-4-15(16)18-8-22-10-26-18)23-19(24)12-5-11-1-2-13(21)6-17(11)25-9-12/h1-4,6-8,10,12H,5,9H2,(H,23,24)/t12-/m1/s1
InChIKeyJMKUNXHWGRYCGV-GFCCVEGCSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide
CID 166904459
(3R)-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866896
N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 166904191
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
6-fluoro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571682
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55726005
6-chloro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571731
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (CID 175866913) is (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@H]1COc2cc(F)ccc2C1.
What is the InChIKey of (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JMKUNXHWGRYCGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c20-16-7-14(3-4-15(16)18-8-22-10-26-18)23-19(24)12-5-11-1-2-13(21)6-17(11)25-9-12/h1-4,6-8,10,12H,5,9H2,(H,23,24)/t12-/m1/s1.
What are the key properties of (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 175866913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).