N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide

C15H26N4O2 — CID 162644931

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)12-11-13(17-21-12)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeySYMOBMRWCIKWIT-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.55
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 162644931) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID162644931
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)12-11-13(17-21-12)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20)
InChIKeySYMOBMRWCIKWIT-UHFFFAOYSA-N
XLogP1.55
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide (CID 162644931) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is SYMOBMRWCIKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)12-11-13(17-21-12)16-14(20)5-6-19-9-7-18(4)8-10-19/h11H,5-10H2,1-4H3,(H,16,17,20).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 162644931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).