1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea

C16H24N4O3 — CID 94030463

IUPAC1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
SMILESO=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccncc1
InChIInChI=1S/C16H24N4O3/c21-16(19-14-1-4-17-5-2-14)18-11-15(13-3-8-23-12-13)20-6-9-22-10-7-20/h1-2,4-5,13,15H,3,6-12H2,(H2,17,18,19,21)/t13-,15-/m1/s1
InChIKeyFXJYSNDRWBJSAY-UKRRQHHQSA-N
MW320.39 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea

1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea (PubChem CID 94030463) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
PubChem CID94030463
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
SMILESO=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccncc1
InChIInChI=1S/C16H24N4O3/c21-16(19-14-1-4-17-5-2-14)18-11-15(13-3-8-23-12-13)20-6-9-22-10-7-20/h1-2,4-5,13,15H,3,6-12H2,(H2,17,18,19,21)/t13-,15-/m1/s1
InChIKeyFXJYSNDRWBJSAY-UKRRQHHQSA-N
XLogP0.94
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116384
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 51945979
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 95145881
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
1-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 95150746
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
1-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 94031834

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea (CID 94030463) is 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea is O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccncc1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea?
The InChIKey is FXJYSNDRWBJSAY-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-16(19-14-1-4-17-5-2-14)18-11-15(13-3-8-23-12-13)20-6-9-22-10-7-20/h1-2,4-5,13,15H,3,6-12H2,(H2,17,18,19,21)/t13-,15-/m1/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea?
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea has a molecular weight of 320.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 94030463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).