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

C19H15ClN2O3 — CID 176592594

IUPAC(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C19H15ClN2O3/c20-16-8-14(5-6-15(16)18-9-21-11-25-18)22-19(23)13-7-12-3-1-2-4-17(12)24-10-13/h1-6,8-9,11,13H,7,10H2,(H,22,23)/t13-/m0/s1
InChIKeyPGDHMWGHOMTKNW-ZDUSSCGKSA-N
MW354.79 g/mol
LogP4.18
Rot. Bonds3

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

(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 176592594) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID176592594
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C19H15ClN2O3/c20-16-8-14(5-6-15(16)18-9-21-11-25-18)22-19(23)13-7-12-3-1-2-4-17(12)24-10-13/h1-6,8-9,11,13H,7,10H2,(H,22,23)/t13-/m0/s1
InChIKeyPGDHMWGHOMTKNW-ZDUSSCGKSA-N
XLogP4.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866913
(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-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide
CID 166904459
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
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 165108124
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 176592594) is (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-c2cnco2)c(Cl)c1)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PGDHMWGHOMTKNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-16-8-14(5-6-15(16)18-9-21-11-25-18)22-19(23)13-7-12-3-1-2-4-17(12)24-10-13/h1-6,8-9,11,13H,7,10H2,(H,22,23)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 176592594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).