N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

C18H15F2N3O3 — CID 68982000

IUPACN-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H15F2N3O3/c1-11-3-2-8-21-15(11)16(24)22-9-13-10-25-17(23-13)12-4-6-14(7-5-12)26-18(19)20/h2-8,10,18H,9H2,1H3,(H,22,24)
InChIKeyJLHDDDPZZVNMIB-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 68982000) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID68982000
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C18H15F2N3O3/c1-11-3-2-8-21-15(11)16(24)22-9-13-10-25-17(23-13)12-4-6-14(7-5-12)26-18(19)20/h2-8,10,18H,9H2,1H3,(H,22,24)
InChIKeyJLHDDDPZZVNMIB-UHFFFAOYSA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557318
3-[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557319
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590173
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175553169
1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one
CID 69124612
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590527

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (CID 68982000) is N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is JLHDDDPZZVNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-11-3-2-8-21-15(11)16(24)22-9-13-10-25-17(23-13)12-4-6-14(7-5-12)26-18(19)20/h2-8,10,18H,9H2,1H3,(H,22,24).
What are the key properties of N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 68982000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).