[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate

C16H18N4O5 — CID 90726135

IUPAC[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cn[nH]c2)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H18N4O5/c17-16(22)25-13-2-1-11(12-8-18-19-9-12)7-14(13)24-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H2,17,22)(H,18,19)
InChIKeyXCMWHGMDQOQTTC-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.77
Rot. Bonds5

About [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate

[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate (PubChem CID 90726135) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate
PubChem CID90726135
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cn[nH]c2)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H18N4O5/c17-16(22)25-13-2-1-11(12-8-18-19-9-12)7-14(13)24-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H2,17,22)(H,18,19)
InChIKeyXCMWHGMDQOQTTC-UHFFFAOYSA-N
XLogP0.77
TPSA119.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate?
The IUPAC name of [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate (CID 90726135) is [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate.
What is the SMILES notation for [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate?
The canonical SMILES for [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate is NC(=O)Oc1ccc(-c2cn[nH]c2)cc1OCC(=O)N1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate?
The InChIKey is XCMWHGMDQOQTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c17-16(22)25-13-2-1-11(12-8-18-19-9-12)7-14(13)24-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H2,17,22)(H,18,19).
What are the key properties of [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate?
[2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate has a molecular weight of 346.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-yl-2-oxoethoxy)-4-(1H-pyrazol-4-yl)phenyl] carbamate is sourced from PubChem (CID 90726135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).