N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide

C16H19FN4O5S — CID 126822367

IUPACN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide
SMILESCS(=O)(=O)NCC1COCCN1C(=O)Nc1cc(-c2ccccc2F)on1
InChIInChI=1S/C16H19FN4O5S/c1-27(23,24)18-9-11-10-25-7-6-21(11)16(22)19-15-8-14(26-20-15)12-4-2-3-5-13(12)17/h2-5,8,11,18H,6-7,9-10H2,1H3,(H,19,20,22)
InChIKeyTYULRUCCMVSZQX-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.26
Rot. Bonds5

About N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide

N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide (PubChem CID 126822367) has the molecular formula C16H19FN4O5S and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide
PubChem CID126822367
Molecular FormulaC16H19FN4O5S
Molecular Weight398.42 g/mol
Exact Mass398.11
IUPAC NameN-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide
SMILESCS(=O)(=O)NCC1COCCN1C(=O)Nc1cc(-c2ccccc2F)on1
InChIInChI=1S/C16H19FN4O5S/c1-27(23,24)18-9-11-10-25-7-6-21(11)16(22)19-15-8-14(26-20-15)12-4-2-3-5-13(12)17/h2-5,8,11,18H,6-7,9-10H2,1H3,(H,19,20,22)
InChIKeyTYULRUCCMVSZQX-UHFFFAOYSA-N
XLogP1.26
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
CID 154765439
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 166229604
(6R)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129347377
3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 131963807
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 167907588
3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide
CID 136563168
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-morpholin-4-ylsulfonylbenzoate
CID 27370210
5-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 37342413
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479251

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide (CID 126822367) is N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide is CS(=O)(=O)NCC1COCCN1C(=O)Nc1cc(-c2ccccc2F)on1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The InChIKey is TYULRUCCMVSZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O5S/c1-27(23,24)18-9-11-10-25-7-6-21(11)16(22)19-15-8-14(26-20-15)12-4-2-3-5-13(12)17/h2-5,8,11,18H,6-7,9-10H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide?
N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-3-(methanesulfonamidomethyl)morpholine-4-carboxamide is sourced from PubChem (CID 126822367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).