1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C16H17F2N3O3 — CID 95315778

IUPAC1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)no1
InChIInChI=1S/C16H17F2N3O3/c1-9-7-14(21-24-9)20-16(22)19-13-4-2-3-10-8-11(23-15(17)18)5-6-12(10)13/h5-8,13,15H,2-4H2,1H3,(H2,19,20,21,22)/t13-/m1/s1
InChIKeyIUIVVEUNVGJHQO-CYBMUJFWSA-N
MW337.33 g/mol
LogP3.78
Rot. Bonds4

About 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 95315778) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID95315778
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)no1
InChIInChI=1S/C16H17F2N3O3/c1-9-7-14(21-24-9)20-16(22)19-13-4-2-3-10-8-11(23-15(17)18)5-6-12(10)13/h5-8,13,15H,2-4H2,1H3,(H2,19,20,21,22)/t13-/m1/s1
InChIKeyIUIVVEUNVGJHQO-CYBMUJFWSA-N
XLogP3.78
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95346205
(2R,3S)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylmorpholine-3-carboxamide
CID 120929248
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 95315778) is 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)no1.
What is the InChIKey of 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is IUIVVEUNVGJHQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9-7-14(21-24-9)20-16(22)19-13-4-2-3-10-8-11(23-15(17)18)5-6-12(10)13/h5-8,13,15H,2-4H2,1H3,(H2,19,20,21,22)/t13-/m1/s1.
What are the key properties of 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 337.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 95315778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).