N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C18H17ClFN3O2 — CID 166192108

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC(C)c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C18H17ClFN3O2/c1-9(2)16-13-6-12(8-21-18(13)25-23-16)17(24)22-10(3)11-4-5-15(20)14(19)7-11/h4-10H,1-3H3,(H,22,24)
InChIKeyDTVYKXCRXSKUCZ-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.63
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166192108) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166192108
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)NC(C)c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C18H17ClFN3O2/c1-9(2)16-13-6-12(8-21-18(13)25-23-16)17(24)22-10(3)11-4-5-15(20)14(19)7-11/h4-10H,1-3H3,(H,22,24)
InChIKeyDTVYKXCRXSKUCZ-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551
N-(1-methoxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24639517
tert-butyl 6-[(4-fluorophenyl)-[4-[(1R)-1-[(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]ethyl]phenyl]methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196965
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166210280
[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 99805993
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25497251
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 166192108) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)NC(C)c3ccc(F)c(Cl)c3)cc12.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is DTVYKXCRXSKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-9(2)16-13-6-12(8-21-18(13)25-23-16)17(24)22-10(3)11-4-5-15(20)14(19)7-11/h4-10H,1-3H3,(H,22,24).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166192108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).