tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate

C18H24N6O5 — CID 42628369

IUPACtert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccon2)CC1
InChIInChI=1S/C18H24N6O5/c1-18(2,3)29-17(27)24-7-4-11(5-8-24)21-15(25)13-14(20-10-19-13)16(26)22-12-6-9-28-23-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,25)(H,22,23,26)
InChIKeyVHASFJXMDXPAQB-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 42628369) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID42628369
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Nametert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccon2)CC1
InChIInChI=1S/C18H24N6O5/c1-18(2,3)29-17(27)24-7-4-11(5-8-24)21-15(25)13-14(20-10-19-13)16(26)22-12-6-9-28-23-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,25)(H,22,23,26)
InChIKeyVHASFJXMDXPAQB-UHFFFAOYSA-N
XLogP1.78
TPSA142.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
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CID 126805389
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propanoate
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tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 4-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985020
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate (CID 42628369) is tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccon2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is VHASFJXMDXPAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-18(2,3)29-17(27)24-7-4-11(5-8-24)21-15(25)13-14(20-10-19-13)16(26)22-12-6-9-28-23-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,25)(H,22,23,26).
What are the key properties of tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).