1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C15H24N4O3 — CID 164634429

IUPAC1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCOC[C@@H]1CC1CCOCC1
InChIInChI=1S/C15H24N4O3/c20-15(1-4-18-12-16-11-17-18)19-5-8-22-10-14(19)9-13-2-6-21-7-3-13/h11-14H,1-10H2/t14-/m0/s1
InChIKeyLOENZEFCXIGMQG-AWEZNQCLSA-N
MW308.38 g/mol
LogP0.71
Rot. Bonds5

About 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 164634429) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID164634429
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCOC[C@@H]1CC1CCOCC1
InChIInChI=1S/C15H24N4O3/c20-15(1-4-18-12-16-11-17-18)19-5-8-22-10-14(19)9-13-2-6-21-7-3-13/h11-14H,1-10H2/t14-/m0/s1
InChIKeyLOENZEFCXIGMQG-AWEZNQCLSA-N
XLogP0.71
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
CID 95877128
2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetic acid
CID 95721739
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
CID 136567969
1-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 98756572
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 80552392
methyl 1-[3-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43410218
N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 138025218
1-[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124940280

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 164634429) is 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(CCn1cncn1)N1CCOC[C@@H]1CC1CCOCC1.
What is the InChIKey of 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is LOENZEFCXIGMQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-15(1-4-18-12-16-11-17-18)19-5-8-22-10-14(19)9-13-2-6-21-7-3-13/h11-14H,1-10H2/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 308.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 164634429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).