N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide

C22H24N4O5 — CID 155773356

IUPACN-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCNC(=O)CN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O5/c1-29-16-7-3-14(4-8-16)21-18(11-19(27)24-13-25-20(28)12-23)31-26-22(21)15-5-9-17(30-2)10-6-15/h3-10H,11-13,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPHCVKHHWDILOJE-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.72
Rot. Bonds9

About N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide

N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 155773356) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID155773356
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCNC(=O)CN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O5/c1-29-16-7-3-14(4-8-16)21-18(11-19(27)24-13-25-20(28)12-23)31-26-22(21)15-5-9-17(30-2)10-6-15/h3-10H,11-13,23H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPHCVKHHWDILOJE-UHFFFAOYSA-N
XLogP1.72
TPSA128.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
CID 171990986
1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
CID 145389293
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 161487284
methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
CID 16640377
(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
CID 77105395
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[4-[4-[(6Z,9Z,12Z,15Z)-2-oxohenicosa-6,9,12,15-tetraenyl]phenyl]phenyl]acetamide
CID 158392907
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755

Frequently Asked Questions

What is the IUPAC name of N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 155773356) is N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2noc(CC(=O)NCNC(=O)CN)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is PHCVKHHWDILOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-16-7-3-14(4-8-16)21-18(11-19(27)24-13-25-20(28)12-23)31-26-22(21)15-5-9-17(30-2)10-6-15/h3-10H,11-13,23H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 424.46 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 155773356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).