[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

C18H23FN4O4 — CID 135119760

IUPAC[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)N2CCOC(CN)C2)ccc1F
InChIInChI=1S/C18H23FN4O4/c1-22(2)17-15(18(24)23-6-7-26-12(9-20)10-23)16(27-21-17)11-4-5-13(19)14(8-11)25-3/h4-5,8,12H,6-7,9-10,20H2,1-3H3
InChIKeyOFAGTHDNPATJFU-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.36
Rot. Bonds5

About [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 135119760) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID135119760
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)N2CCOC(CN)C2)ccc1F
InChIInChI=1S/C18H23FN4O4/c1-22(2)17-15(18(24)23-6-7-26-12(9-20)10-23)16(27-21-17)11-4-5-13(19)14(8-11)25-3/h4-5,8,12H,6-7,9-10,20H2,1-3H3
InChIKeyOFAGTHDNPATJFU-UHFFFAOYSA-N
XLogP1.36
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 135108537
[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 135109651
4-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1-propylpiperazin-2-one
CID 135106296
2,7-diazaspiro[4.5]decan-7-yl-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone;hydrochloride
CID 154916045
3-(dimethylamino)-N-ethyl-5-(4-fluoro-3-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 135108212
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 135097884
3-(dimethylamino)-N-[3-(dimethylamino)-3-oxopropyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135090287
5-(4-fluoro-3-methoxyphenyl)-3-[methyl-[3-(oxolan-2-yl)propyl]amino]-1,2-oxazole-4-carboxylic acid
CID 135116863
3-(dimethylamino)-N-(1-ethylpiperidin-3-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 135093405
5-(4-fluoro-3-methoxyphenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,2-oxazole-4-carboxylic acid
CID 135115467
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxybutyl)-1,2-oxazole-4-carboxamide
CID 135117414
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone (CID 135119760) is [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone is COc1cc(-c2onc(N(C)C)c2C(=O)N2CCOC(CN)C2)ccc1F.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is OFAGTHDNPATJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-22(2)17-15(18(24)23-6-7-26-12(9-20)10-23)16(27-21-17)11-4-5-13(19)14(8-11)25-3/h4-5,8,12H,6-7,9-10,20H2,1-3H3.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone?
[2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 378.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 135119760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).