N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C20H17F2N3O3 — CID 94829222

IUPACN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(-c2cccnc2)on1
InChIInChI=1S/C20H17F2N3O3/c21-20(22)27-14-6-7-15-12(9-14)3-1-5-16(15)24-19(26)17-10-18(28-25-17)13-4-2-8-23-11-13/h2,4,6-11,16,20H,1,3,5H2,(H,24,26)/t16-/m0/s1
InChIKeyTXMNRZJTNDCOPZ-INIZCTEOSA-N
MW385.37 g/mol
LogP4.15
Rot. Bonds5

About N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 94829222) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID94829222
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(-c2cccnc2)on1
InChIInChI=1S/C20H17F2N3O3/c21-20(22)27-14-6-7-15-12(9-14)3-1-5-16(15)24-19(26)17-10-18(28-25-17)13-4-2-8-23-11-13/h2,4,6-11,16,20H,1,3,5H2,(H,24,26)/t16-/m0/s1
InChIKeyTXMNRZJTNDCOPZ-INIZCTEOSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 95905058
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-ethylpyridine-4-carboxamide
CID 75437261
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72843548
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
CID 136533245
2-chloro-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 94866345
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94829246
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
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]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 94829222) is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is TXMNRZJTNDCOPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c21-20(22)27-14-6-7-15-12(9-14)3-1-5-16(15)24-19(26)17-10-18(28-25-17)13-4-2-8-23-11-13/h2,4,6-11,16,20H,1,3,5H2,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94829222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).