methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate

C33H36N2O5 — CID 57111007

IUPACmethyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate
SMILESCOC(=O)C(C)(C)CCC=C(NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1ccccc1
InChIInChI=1S/C33H36N2O5/c1-24-30(34-31(40-24)27-14-9-6-10-15-27)23-38-28-19-17-25(18-20-28)22-39-35-29(26-12-7-5-8-13-26)16-11-21-33(2,3)32(36)37-4/h5-10,12-20,35H,11,21-23H2,1-4H3
InChIKeyYDBUIFLTDSOPHE-UHFFFAOYSA-N
MW540.66 g/mol
LogP7.27
Rot. Bonds13

About methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate

methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate (PubChem CID 57111007) has the molecular formula C33H36N2O5 and a molecular weight of 540.66 g/mol. Its IUPAC name is methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate
PubChem CID57111007
Molecular FormulaC33H36N2O5
Molecular Weight540.66 g/mol
Exact Mass540.26
IUPAC Namemethyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate
SMILESCOC(=O)C(C)(C)CCC=C(NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1ccccc1
InChIInChI=1S/C33H36N2O5/c1-24-30(34-31(40-24)27-14-9-6-10-15-27)23-38-28-19-17-25(18-20-28)22-39-35-29(26-12-7-5-8-13-26)16-11-21-33(2,3)32(36)37-4/h5-10,12-20,35H,11,21-23H2,1-4H3
InChIKeyYDBUIFLTDSOPHE-UHFFFAOYSA-N
XLogP7.27
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-4-phenylbut-3-enoic acid
CID 57276144
6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-N-methylsulfonyl-6-phenylhex-5-enamide
CID 57008727
4-(4-fluorophenyl)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]but-3-enoic acid
CID 90714215
(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid
CID 86589849
ethyl (3E)-2,2-dimethyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoate
CID 86589823
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
methyl 3-(ethoxyamino)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]but-2-enoate
CID 90967922
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
calcium;hydride;2-[2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid;dihydrate
CID 173119988
(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
CID 11060312
8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
CID 54356396

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate?
The IUPAC name of methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate (CID 57111007) is methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate.
What is the SMILES notation for methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate?
The canonical SMILES for methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate is COC(=O)C(C)(C)CCC=C(NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate?
The InChIKey is YDBUIFLTDSOPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O5/c1-24-30(34-31(40-24)27-14-9-6-10-15-27)23-38-28-19-17-25(18-20-28)22-39-35-29(26-12-7-5-8-13-26)16-11-21-33(2,3)32(36)37-4/h5-10,12-20,35H,11,21-23H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate?
methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate has a molecular weight of 540.66 g/mol, XLogP of 7.27, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-6-phenylhex-5-enoate is sourced from PubChem (CID 57111007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).