N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C18H22FN3O3 — CID 75420777

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1
InChIInChI=1S/C18H22FN3O3/c1-12(2)15-10-17(25-21-15)18(23)20-11-13-3-4-16(14(19)9-13)22-5-7-24-8-6-22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,20,23)
InChIKeyMWCUBMOCXGHJSQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 75420777) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID75420777
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1
InChIInChI=1S/C18H22FN3O3/c1-12(2)15-10-17(25-21-15)18(23)20-11-13-3-4-16(14(19)9-13)22-5-7-24-8-6-22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,20,23)
InChIKeyMWCUBMOCXGHJSQ-UHFFFAOYSA-N
XLogP2.70
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 87025846
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 87037648
1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 75404860
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232301
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 71890376
methyl 1-[N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253707
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252
4-cyano-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperidine-1-carboxamide
CID 48958028
trans-(1S,2S)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124698857
N-tert-butyl-2-[[N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385428

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 75420777) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)on1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is MWCUBMOCXGHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(2)15-10-17(25-21-15)18(23)20-11-13-3-4-16(14(19)9-13)22-5-7-24-8-6-22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75420777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).