1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea

C18H19FN6O3 — CID 126822408

IUPAC1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea
SMILESCc1cc(C2(NC(=O)Nc3ccn(-c4ccc(F)cn4)n3)CCOCC2)on1
InChIInChI=1S/C18H19FN6O3/c1-12-10-14(28-24-12)18(5-8-27-9-6-18)22-17(26)21-15-4-7-25(23-15)16-3-2-13(19)11-20-16/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,21,22,23,26)
InChIKeyBKONHQZGODJRQE-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea

1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea (PubChem CID 126822408) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea
PubChem CID126822408
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea
SMILESCc1cc(C2(NC(=O)Nc3ccn(-c4ccc(F)cn4)n3)CCOCC2)on1
InChIInChI=1S/C18H19FN6O3/c1-12-10-14(28-24-12)18(5-8-27-9-6-18)22-17(26)21-15-4-7-25(23-15)16-3-2-13(19)11-20-16/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,21,22,23,26)
InChIKeyBKONHQZGODJRQE-UHFFFAOYSA-N
XLogP2.53
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
CID 138057337
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660
4-ethyl-N-(6-pyrazol-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 146131318
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
CID 71150223
1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
CID 61311412
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596548
4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]oxane-4-carboxylic acid
CID 72884900
ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
CID 143496708
tert-butyl 2-(5-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 166837894

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea (CID 126822408) is 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea is Cc1cc(C2(NC(=O)Nc3ccn(-c4ccc(F)cn4)n3)CCOCC2)on1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea?
The InChIKey is BKONHQZGODJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-12-10-14(28-24-12)18(5-8-27-9-6-18)22-17(26)21-15-4-7-25(23-15)16-3-2-13(19)11-20-16/h2-4,7,10-11H,5-6,8-9H2,1H3,(H2,21,22,23,26).
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea?
1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea has a molecular weight of 386.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]urea is sourced from PubChem (CID 126822408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).