N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H29N3O4 — CID 108572968

IUPACN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)CCCOc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C21H29N3O4/c1-15-14-18(24-28-15)20(26)23-12-11-22-19(25)6-5-13-27-17-9-7-16(8-10-17)21(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyCZFSLOMXZFADRP-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.99
Rot. Bonds9

About N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 108572968) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID108572968
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)CCCOc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C21H29N3O4/c1-15-14-18(24-28-15)20(26)23-12-11-22-19(25)6-5-13-27-17-9-7-16(8-10-17)21(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyCZFSLOMXZFADRP-UHFFFAOYSA-N
XLogP2.99
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541737
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
4-(4-tert-butylphenoxy)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]butan-1-one
CID 108569080
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 108572968) is N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCNC(=O)CCCOc2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CZFSLOMXZFADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15-14-18(24-28-15)20(26)23-12-11-22-19(25)6-5-13-27-17-9-7-16(8-10-17)21(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 108572968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).