4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one

C19H21Cl2NO3 — CID 163927034

IUPAC4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCC2C(c3c(Cl)cccc3Cl)=NOC2C2CC2)CC1
InChIInChI=1S/C19H21Cl2NO3/c20-15-2-1-3-16(21)17(15)18-14(19(25-22-18)11-4-5-11)10-24-13-8-6-12(23)7-9-13/h1-3,11,13-14,19H,4-10H2
InChIKeyRFJVYTVKTQOBJP-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.65
Rot. Bonds5

About 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one

4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one (PubChem CID 163927034) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
PubChem CID163927034
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
SMILESO=C1CCC(OCC2C(c3c(Cl)cccc3Cl)=NOC2C2CC2)CC1
InChIInChI=1S/C19H21Cl2NO3/c20-15-2-1-3-16(21)17(15)18-14(19(25-22-18)11-4-5-11)10-24-13-8-6-12(23)7-9-13/h1-3,11,13-14,19H,4-10H2
InChIKeyRFJVYTVKTQOBJP-UHFFFAOYSA-N
XLogP4.65
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one with MolForge

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Related Compounds

Vwfmxrafgzgtqh-lfnppyntsa-
CID 10564962
Vwfmxrafgzgtqh-yqgzdwkcsa-
CID 10802957
3-(2,6-dichlorophenyl)-5,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-4-one
CID 11119607
Yndaulseyacqqw-kolcdficsa-
CID 12037574
3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
CID 89275470
3-[3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]propanal
CID 89275510
5-Cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde
CID 139461480
5-Cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole
CID 155401654
3-(2,6-Dichlorophenyl)-3a,6,7,7a-tetrahydropyrano[3,4-d][1,2]oxazol-4-one
CID 10989772
3-(2,6-Dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 11277916
(3aS,6R,6aS)-3-(2,6-dichlorophenyl)-6-methyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazol-4-one
CID 12014538
1-[(4S,5S)-5-acetyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]ethanone
CID 21796965

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The IUPAC name of 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one (CID 163927034) is 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one.
What is the SMILES notation for 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The canonical SMILES for 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one is O=C1CCC(OCC2C(c3c(Cl)cccc3Cl)=NOC2C2CC2)CC1.
What is the InChIKey of 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
The InChIKey is RFJVYTVKTQOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c20-15-2-1-3-16(21)17(15)18-14(19(25-22-18)11-4-5-11)10-24-13-8-6-12(23)7-9-13/h1-3,11,13-14,19H,4-10H2.
What are the key properties of 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one?
4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one has a molecular weight of 382.29 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one is sourced from PubChem (CID 163927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).