3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol

C18H22N2O4 — CID 66683189

IUPAC3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol
SMILESCOC[C@H](C)Oc1cc(O)cc(-c2ccc(C3=N[C@H](C)CO3)[nH]2)c1
InChIInChI=1S/C18H22N2O4/c1-11-9-23-18(19-11)17-5-4-16(20-17)13-6-14(21)8-15(7-13)24-12(2)10-22-3/h4-8,11-12,20-21H,9-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyIALADIFCZYWCQI-NEPJUHHUSA-N
MW330.38 g/mol
LogP2.97
Rot. Bonds6

About 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol

3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol (PubChem CID 66683189) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol.

Molecular Properties

Compound Name3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol
PubChem CID66683189
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol
SMILESCOC[C@H](C)Oc1cc(O)cc(-c2ccc(C3=N[C@H](C)CO3)[nH]2)c1
InChIInChI=1S/C18H22N2O4/c1-11-9-23-18(19-11)17-5-4-16(20-17)13-6-14(21)8-15(7-13)24-12(2)10-22-3/h4-8,11-12,20-21H,9-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyIALADIFCZYWCQI-NEPJUHHUSA-N
XLogP2.97
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol?
The IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol (CID 66683189) is 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol.
What is the SMILES notation for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol?
The canonical SMILES for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol is COC[C@H](C)Oc1cc(O)cc(-c2ccc(C3=N[C@H](C)CO3)[nH]2)c1.
What is the InChIKey of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol?
The InChIKey is IALADIFCZYWCQI-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-9-23-18(19-11)17-5-4-16(20-17)13-6-14(21)8-15(7-13)24-12(2)10-22-3/h4-8,11-12,20-21H,9-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol?
3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol has a molecular weight of 330.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenol is sourced from PubChem (CID 66683189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).