ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate

C19H29N3O5 — CID 42770380

IUPACethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1
InChIInChI=1S/C19H29N3O5/c1-3-26-19(25)10-9-18(24)22(12-15-7-5-4-6-8-15)13-17(23)20-16-11-14(2)27-21-16/h11,15H,3-10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyTUOOVRTURWHSSO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.67
Rot. Bonds9

About ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate

ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 42770380) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID42770380
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nameethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1
InChIInChI=1S/C19H29N3O5/c1-3-26-19(25)10-9-18(24)22(12-15-7-5-4-6-8-15)13-17(23)20-16-11-14(2)27-21-16/h11,15H,3-10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyTUOOVRTURWHSSO-UHFFFAOYSA-N
XLogP2.67
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4123267
4-chloro-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770365
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
4-butyl-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770379
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
2-[1-adamantylcarbamoyl(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3371998
2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770452
2-[cyclohexylmethyl-[(3-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5122047

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate (CID 42770380) is ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1.
What is the InChIKey of ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is TUOOVRTURWHSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-3-26-19(25)10-9-18(24)22(12-15-7-5-4-6-8-15)13-17(23)20-16-11-14(2)27-21-16/h11,15H,3-10,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 379.46 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 42770380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).