(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide

C17H29N3O2 — CID 146098473

IUPAC(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide
SMILESCc1nc(C(C)(C)C)oc1CCCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C17H29N3O2/c1-13-14(22-16(19-13)17(2,3)4)9-7-11-18-15(21)10-8-12-20(5)6/h8,10H,7,9,11-12H2,1-6H3,(H,18,21)/b10-8+
InChIKeyWCFIJMZJNLVZPL-CSKARUKUSA-N
MW307.44 g/mol
LogP2.45
Rot. Bonds7

About (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide

(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide (PubChem CID 146098473) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide
PubChem CID146098473
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide
SMILESCc1nc(C(C)(C)C)oc1CCCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C17H29N3O2/c1-13-14(22-16(19-13)17(2,3)4)9-7-11-18-15(21)10-8-12-20(5)6/h8,10H,7,9,11-12H2,1-6H3,(H,18,21)/b10-8+
InChIKeyWCFIJMZJNLVZPL-CSKARUKUSA-N
XLogP2.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide
CID 110476927
3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 139907422
3-(2-Tert-butyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine
CID 75366155
3-(4-Ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine
CID 82413180
3-(2-Cyclopropyl-4-methyl-1,3-oxazol-5-yl)propan-1-amine
CID 84013975
3-(4-Methyl-2-propan-2-yl-1,3-oxazol-5-yl)propan-1-amine
CID 84014070
3-(4-Ethyl-2-propan-2-yl-1,3-oxazol-5-yl)propan-1-amine
CID 84014703
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-prop-2-enylacetamide
CID 84575455
tert-butyl N-[2-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propylamino]-2-oxoethyl]carbamate
CID 108450368
tert-butyl N-[3-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propylamino]-3-oxopropyl]carbamate
CID 108450486
N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2-cyanoacetamide
CID 108450584
1-tert-butyl-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108455438

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide?
The IUPAC name of (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide (CID 146098473) is (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide?
The canonical SMILES for (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide is Cc1nc(C(C)(C)C)oc1CCCNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide?
The InChIKey is WCFIJMZJNLVZPL-CSKARUKUSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13-14(22-16(19-13)17(2,3)4)9-7-11-18-15(21)10-8-12-20(5)6/h8,10H,7,9,11-12H2,1-6H3,(H,18,21)/b10-8+.
What are the key properties of (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide?
(E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide has a molecular weight of 307.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide is sourced from PubChem (CID 146098473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).