1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

C21H29N5O3 — CID 51945979

IUPAC1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H29N5O3/c27-21(24-19-5-2-1-4-17(19)15-26-8-3-7-23-26)22-14-20(18-6-11-29-16-18)25-9-12-28-13-10-25/h1-5,7-8,18,20H,6,9-16H2,(H2,22,24,27)/t18-,20+/m0/s1
InChIKeyMGKVAHLPBKDQHL-AZUAARDMSA-N
MW399.50 g/mol
LogP1.79
Rot. Bonds7

About 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 51945979) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID51945979
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H29N5O3/c27-21(24-19-5-2-1-4-17(19)15-26-8-3-7-23-26)22-14-20(18-6-11-29-16-18)25-9-12-28-13-10-25/h1-5,7-8,18,20H,6,9-16H2,(H2,22,24,27)/t18-,20+/m0/s1
InChIKeyMGKVAHLPBKDQHL-AZUAARDMSA-N
XLogP1.79
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 124840254
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
1-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 94031834
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94021743
1-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 95150746

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (CID 51945979) is 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is MGKVAHLPBKDQHL-AZUAARDMSA-N. The full InChI is InChI=1S/C21H29N5O3/c27-21(24-19-5-2-1-4-17(19)15-26-8-3-7-23-26)22-14-20(18-6-11-29-16-18)25-9-12-28-13-10-25/h1-5,7-8,18,20H,6,9-16H2,(H2,22,24,27)/t18-,20+/m0/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 399.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 51945979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).