2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

C19H32N4O4 — CID 165426413

IUPAC2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCO[C@H](CN3CCN(CC)CC3)[C@H]2O)o1
InChIInChI=1S/C19H32N4O4/c1-4-16-20-13(3)18(27-16)19(25)21-14-6-11-26-15(17(14)24)12-23-9-7-22(5-2)8-10-23/h14-15,17,24H,4-12H2,1-3H3,(H,21,25)/t14-,15+,17-/m0/s1
InChIKeyWPZVYOAJBJGVBR-UXLLHSPISA-N
MW380.49 g/mol
LogP0.43
Rot. Bonds6

About 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 165426413) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID165426413
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCO[C@H](CN3CCN(CC)CC3)[C@H]2O)o1
InChIInChI=1S/C19H32N4O4/c1-4-16-20-13(3)18(27-16)19(25)21-14-6-11-26-15(17(14)24)12-23-9-7-22(5-2)8-10-23/h14-15,17,24H,4-12H2,1-3H3,(H,21,25)/t14-,15+,17-/m0/s1
InChIKeyWPZVYOAJBJGVBR-UXLLHSPISA-N
XLogP0.43
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 133265710
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 128529141
2-ethyl-4-methyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,3-oxazole-5-carboxamide
CID 125462160
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166598781
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382
6-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(piperidin-1-ylmethyl)oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 165424978
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
2-ethyl-4-methyl-N-(oxolan-3-ylsulfonyl)-1,3-oxazole-5-carboxamide
CID 154789759
ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate
CID 50971554
N-[(2R,3S,4S)-2-[(4-carbamoylpiperidin-1-yl)methyl]-3-hydroxyoxan-4-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 165427820
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 165426413) is 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2CCO[C@H](CN3CCN(CC)CC3)[C@H]2O)o1.
What is the InChIKey of 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is WPZVYOAJBJGVBR-UXLLHSPISA-N. The full InChI is InChI=1S/C19H32N4O4/c1-4-16-20-13(3)18(27-16)19(25)21-14-6-11-26-15(17(14)24)12-23-9-7-22(5-2)8-10-23/h14-15,17,24H,4-12H2,1-3H3,(H,21,25)/t14-,15+,17-/m0/s1.
What are the key properties of 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R,3S,4S)-2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxyoxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 165426413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).