1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C17H23N5O3 — CID 94025139

IUPAC1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)no1
InChIInChI=1S/C17H23N5O3/c1-11-6-15(21-25-11)20-17(23)19-8-14-4-5-16(18-7-14)22-9-12(2)24-13(3)10-22/h4-7,12-13H,8-10H2,1-3H3,(H2,19,20,21,23)/t12-,13+
InChIKeyXTWHOWVNWJCEMC-BETUJISGSA-N
MW345.40 g/mol
LogP2.31
Rot. Bonds4

About 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 94025139) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID94025139
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)no1
InChIInChI=1S/C17H23N5O3/c1-11-6-15(21-25-11)20-17(23)19-8-14-4-5-16(18-7-14)22-9-12(2)24-13(3)10-22/h4-7,12-13H,8-10H2,1-3H3,(H2,19,20,21,23)/t12-,13+
InChIKeyXTWHOWVNWJCEMC-BETUJISGSA-N
XLogP2.31
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47861764
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 55794605
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
N-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51947278
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 94025139) is 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)no1.
What is the InChIKey of 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is XTWHOWVNWJCEMC-BETUJISGSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-6-15(21-25-11)20-17(23)19-8-14-4-5-16(18-7-14)22-9-12(2)24-13(3)10-22/h4-7,12-13H,8-10H2,1-3H3,(H2,19,20,21,23)/t12-,13+.
What are the key properties of 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 345.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 94025139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).