(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C19H20ClNO4 — CID 54490936

IUPAC(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cnoc2C2CC2)c(Cl)c2c1CCCC2OC
InChIInChI=1S/C19H20ClNO4/c1-23-14-5-3-4-11-15(24-2)8-12(17(20)16(11)14)18(22)13-9-21-25-19(13)10-6-7-10/h8-10,14H,3-7H2,1-2H3
InChIKeyXVRAVYFKSKWPSZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.47
Rot. Bonds5

About (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54490936) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54490936
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cnoc2C2CC2)c(Cl)c2c1CCCC2OC
InChIInChI=1S/C19H20ClNO4/c1-23-14-5-3-4-11-15(24-2)8-12(17(20)16(11)14)18(22)13-9-21-25-19(13)10-6-7-10/h8-10,14H,3-7H2,1-2H3
InChIKeyXVRAVYFKSKWPSZ-UHFFFAOYSA-N
XLogP4.47
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 22072925
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
CID 18996933
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methoxy-2-pyridinyl)methanone
CID 18996909
[4-chloro-2-methoxy-3-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950291
N-(4-chloro-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
CID 22418148
(5-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54196821
[2-chloro-4-methylsulfanyl-3-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950261
[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54224083
(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-nitrophenyl)methanone
CID 54247454
methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
CID 22621148
(4-bromo-3-methoxy-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54526989

Frequently Asked Questions

What is the IUPAC name of (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54490936) is (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is COc1cc(C(=O)c2cnoc2C2CC2)c(Cl)c2c1CCCC2OC.
What is the InChIKey of (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is XVRAVYFKSKWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-23-14-5-3-4-11-15(24-2)8-12(17(20)16(11)14)18(22)13-9-21-25-19(13)10-6-7-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
(1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 361.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-4,8-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54490936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).