[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone

C14H21N3O4 — CID 133127339

IUPAC[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1C[C@@H](CO)[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C14H21N3O4/c18-8-12-7-17(14(19)13-9-21-10-15-13)6-11(12)5-16-1-3-20-4-2-16/h9-12,18H,1-8H2/t11-,12-/m0/s1
InChIKeySFZBKMFNIKOGCN-RYUDHWBXSA-N
MW295.34 g/mol
LogP-0.31
Rot. Bonds4

About [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone

[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 133127339) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID133127339
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESO=C(c1cocn1)N1C[C@@H](CO)[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C14H21N3O4/c18-8-12-7-17(14(19)13-9-21-10-15-13)6-11(12)5-16-1-3-20-4-2-16/h9-12,18H,1-8H2/t11-,12-/m0/s1
InChIKeySFZBKMFNIKOGCN-RYUDHWBXSA-N
XLogP-0.31
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 156603607
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 156605318
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 70717193
(3-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133113901
(3-chloro-2-fluorophenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 70713744
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 70715221
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 70764759
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 70720688
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72863684
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 78085563

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone (CID 133127339) is [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone is O=C(c1cocn1)N1C[C@@H](CO)[C@@H](CN2CCOCC2)C1.
What is the InChIKey of [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is SFZBKMFNIKOGCN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-8-12-7-17(14(19)13-9-21-10-15-13)6-11(12)5-16-1-3-20-4-2-16/h9-12,18H,1-8H2/t11-,12-/m0/s1.
What are the key properties of [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone?
[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 133127339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).