oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate

C24H24N4O7 — CID 22058490

IUPACoxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C24H24N4O7/c1-32-20-10-17(5-6-19(20)21-12-25-14-34-21)28-23(30)22(29)27-16-4-2-3-15(9-16)11-26-24(31)35-18-7-8-33-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyDCYWYFGRSOLDNK-UHFFFAOYSA-N
MW480.48 g/mol
LogP2.94
Rot. Bonds7

About oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate

oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate (PubChem CID 22058490) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 g/mol. Its IUPAC name is oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
PubChem CID22058490
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Nameoxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C24H24N4O7/c1-32-20-10-17(5-6-19(20)21-12-25-14-34-21)28-23(30)22(29)27-16-4-2-3-15(9-16)11-26-24(31)35-18-7-8-33-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyDCYWYFGRSOLDNK-UHFFFAOYSA-N
XLogP2.94
TPSA141.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160
methane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;phenyl N-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamate
CID 157293080
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
ethoxy-[[2-(1,3-oxazol-5-yl)-5-[[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamoylamino]phenoxy]methyl]phosphinic acid
CID 89245141
cyclopentyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;morpholine
CID 142907089
oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 20604859
oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
CID 155661853
3-methyl-4-(1,3-oxazol-5-yl)aniline;[(3S)-oxolan-3-yl] N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate;2-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]acetic acid
CID 160711986
[(3S)-oxolan-3-yl] N-[[3-[[3-hydroxy-6-methoxy-3-methyl-5-(1,3-oxazol-5-yl)cyclohepta-1,4,6-trien-1-yl]carbamoylamino]phenyl]methyl]carbamate
CID 163492198
[(3S)-oxolan-3-yl] N-[(2E,4E)-4-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]-2-methylhepta-2,4,6-trienyl]carbamate
CID 89228093
tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 20766988
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The IUPAC name of oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate (CID 22058490) is oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate is COc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1.
What is the InChIKey of oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
The InChIKey is DCYWYFGRSOLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O7/c1-32-20-10-17(5-6-19(20)21-12-25-14-34-21)28-23(30)22(29)27-16-4-2-3-15(9-16)11-26-24(31)35-18-7-8-33-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate?
oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate has a molecular weight of 480.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 22058490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).