tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate

C17H24N2O3 — CID 142535625

IUPACtert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate
SMILESC=C/C=C(\C(=C)C)C(CNC(=O)OC(C)(C)C)c1ncco1
InChIInChI=1S/C17H24N2O3/c1-7-8-13(12(2)3)14(15-18-9-10-21-15)11-19-16(20)22-17(4,5)6/h7-10,14H,1-2,11H2,3-6H3,(H,19,20)/b13-8+
InChIKeySQZALIRQLJJRKP-MDWZMJQESA-N
MW304.39 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate

tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate (PubChem CID 142535625) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate
PubChem CID142535625
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate
SMILESC=C/C=C(\C(=C)C)C(CNC(=O)OC(C)(C)C)c1ncco1
InChIInChI=1S/C17H24N2O3/c1-7-8-13(12(2)3)14(15-18-9-10-21-15)11-19-16(20)22-17(4,5)6/h7-10,14H,1-2,11H2,3-6H3,(H,19,20)/b13-8+
InChIKeySQZALIRQLJJRKP-MDWZMJQESA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate with MolForge

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Related Compounds

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CID 121454125
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tert-butyl (3R)-3-(1,3-oxazol-2-yl)hex-5-enoate
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tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
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tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
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tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
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tert-butyl N-[2-[bromo(difluoro)methyl]but-3-enyl]carbamate
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tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
CID 76845177

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate (CID 142535625) is tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate is C=C/C=C(\C(=C)C)C(CNC(=O)OC(C)(C)C)c1ncco1.
What is the InChIKey of tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate?
The InChIKey is SQZALIRQLJJRKP-MDWZMJQESA-N. The full InChI is InChI=1S/C17H24N2O3/c1-7-8-13(12(2)3)14(15-18-9-10-21-15)11-19-16(20)22-17(4,5)6/h7-10,14H,1-2,11H2,3-6H3,(H,19,20)/b13-8+.
What are the key properties of tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate?
tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3Z)-2-(1,3-oxazol-2-yl)-3-prop-1-en-2-ylhexa-3,5-dienyl]carbamate is sourced from PubChem (CID 142535625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).