1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea

C16H17ClN4O4 — CID 72878705

IUPAC1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H17ClN4O4/c17-13-2-1-11(15(22)21-4-7-24-8-5-21)9-14(13)19-16(23)18-10-12-3-6-25-20-12/h1-3,6,9H,4-5,7-8,10H2,(H2,18,19,23)
InChIKeyFWAWMBGJMPEJHZ-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 72878705) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID72878705
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H17ClN4O4/c17-13-2-1-11(15(22)21-4-7-24-8-5-21)9-14(13)19-16(23)18-10-12-3-6-25-20-12/h1-3,6,9H,4-5,7-8,10H2,(H2,18,19,23)
InChIKeyFWAWMBGJMPEJHZ-UHFFFAOYSA-N
XLogP2.12
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 72888553
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
2-chloro-5-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81178009
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(1,4-dioxan-2-ylmethyl)urea
CID 118765538
3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 54858474
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 54860206
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54860175
3-chloro-N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 54860189
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 72852512
(3aR,6aR)-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 133115117

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 72878705) is 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is O=C(NCc1ccon1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is FWAWMBGJMPEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c17-13-2-1-11(15(22)21-4-7-24-8-5-21)9-14(13)19-16(23)18-10-12-3-6-25-20-12/h1-3,6,9H,4-5,7-8,10H2,(H2,18,19,23).
What are the key properties of 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 364.79 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 72878705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).