5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide

C16H14Cl2N2O3 — CID 124850095

IUPAC5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1cc(C2CC2)on1
InChIInChI=1S/C16H14Cl2N2O3/c17-10-4-3-9-11(5-6-22-15(9)14(10)18)19-16(21)12-7-13(23-20-12)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,19,21)/t11-/m0/s1
InChIKeyPYTGMUVSQJJRQV-NSHDSACASA-N
MW353.21 g/mol
LogP4.11
Rot. Bonds3

About 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 124850095) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID124850095
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1cc(C2CC2)on1
InChIInChI=1S/C16H14Cl2N2O3/c17-10-4-3-9-11(5-6-22-15(9)14(10)18)19-16(21)12-7-13(23-20-12)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,19,21)/t11-/m0/s1
InChIKeyPYTGMUVSQJJRQV-NSHDSACASA-N
XLogP4.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide 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

2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
CID 139009293
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
CID 99795973
2-(cyclopropanecarbonylamino)-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 138997796
N-[(5R)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 95271671
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5308825
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide
CID 36715203
5-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 61368931
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
5-cyclopropyl-N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-4-methylidenepyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 163428886
5-cyclopropyl-N-(4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 71937067

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide (CID 124850095) is 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PYTGMUVSQJJRQV-NSHDSACASA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-10-4-3-9-11(5-6-22-15(9)14(10)18)19-16(21)12-7-13(23-20-12)8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,19,21)/t11-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124850095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).