N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide

C20H27N3O5 — CID 67793780

IUPACN'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide
SMILESCC(=O)NNC(=O)c1cc(C)c(OCCCCCc2cc(CO)no2)c(C)c1
InChIInChI=1S/C20H27N3O5/c1-13-9-16(20(26)22-21-15(3)25)10-14(2)19(13)27-8-6-4-5-7-18-11-17(12-24)23-28-18/h9-11,24H,4-8,12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyOIZDCXHLABDPBC-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.36
Rot. Bonds9

About N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide

N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide (PubChem CID 67793780) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide
PubChem CID67793780
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide
SMILESCC(=O)NNC(=O)c1cc(C)c(OCCCCCc2cc(CO)no2)c(C)c1
InChIInChI=1S/C20H27N3O5/c1-13-9-16(20(26)22-21-15(3)25)10-14(2)19(13)27-8-6-4-5-7-18-11-17(12-24)23-28-18/h9-11,24H,4-8,12H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyOIZDCXHLABDPBC-UHFFFAOYSA-N
XLogP2.36
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[9-[3-(methoxymethyl)-1,2-oxazol-5-yl]nonoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
CID 19804365
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
CID 516136
5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
CID 11468527
[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazol-5-yl] acetate
CID 5273036
5-[5-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 15954765
5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 162669293
5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
CID 11468831
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
CID 14981815
N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
CID 54531037
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide?
The IUPAC name of N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide (CID 67793780) is N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide?
The canonical SMILES for N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide is CC(=O)NNC(=O)c1cc(C)c(OCCCCCc2cc(CO)no2)c(C)c1.
What is the InChIKey of N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide?
The InChIKey is OIZDCXHLABDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13-9-16(20(26)22-21-15(3)25)10-14(2)19(13)27-8-6-4-5-7-18-11-17(12-24)23-28-18/h9-11,24H,4-8,12H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide?
N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide has a molecular weight of 389.45 g/mol, XLogP of 2.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 67793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).