N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide

C18H30N4O5 — CID 75366918

IUPACN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide
SMILESCN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1
InChIInChI=1S/C18H30N4O5/c1-21(2)12-15-10-13(20-27-15)9-14-3-4-16(23)17(26-14)11-19-18(24)22-5-7-25-8-6-22/h10,14,16-17,23H,3-9,11-12H2,1-2H3,(H,19,24)/t14-,16-,17+/m0/s1
InChIKeyIUSDDMDCQWREOH-BHYGNILZSA-N
MW382.46 g/mol
LogP0.23
Rot. Bonds6

About N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide

N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75366918) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75366918
Molecular FormulaC18H30N4O5
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC NameN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide
SMILESCN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1
InChIInChI=1S/C18H30N4O5/c1-21(2)12-15-10-13(20-27-15)9-14-3-4-16(23)17(26-14)11-19-18(24)22-5-7-25-8-6-22/h10,14,16-17,23H,3-9,11-12H2,1-2H3,(H,19,24)/t14-,16-,17+/m0/s1
InChIKeyIUSDDMDCQWREOH-BHYGNILZSA-N
XLogP0.23
TPSA100.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide (CID 75366918) is N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide is CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)N3CCOCC3)O2)no1.
What is the InChIKey of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is IUSDDMDCQWREOH-BHYGNILZSA-N. The full InChI is InChI=1S/C18H30N4O5/c1-21(2)12-15-10-13(20-27-15)9-14-3-4-16(23)17(26-14)11-19-18(24)22-5-7-25-8-6-22/h10,14,16-17,23H,3-9,11-12H2,1-2H3,(H,19,24)/t14-,16-,17+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75366918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).