2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

C20H28N4O3 — CID 136525948

IUPAC2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2oc(N3CCN(C(C)C(=O)NCC4CCCO4)CC3)nc2c1
InChIInChI=1S/C20H28N4O3/c1-14-5-6-18-17(12-14)22-20(27-18)24-9-7-23(8-10-24)15(2)19(25)21-13-16-4-3-11-26-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,25)
InChIKeyQDLLYBVXDSGMMR-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 136525948) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID136525948
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2oc(N3CCN(C(C)C(=O)NCC4CCCO4)CC3)nc2c1
InChIInChI=1S/C20H28N4O3/c1-14-5-6-18-17(12-14)22-20(27-18)24-9-7-23(8-10-24)15(2)19(25)21-13-16-4-3-11-26-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,25)
InChIKeyQDLLYBVXDSGMMR-UHFFFAOYSA-N
XLogP1.94
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100676870
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 154569216
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
CID 124886784
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
4-methyl-N-[6-methyl-3-[(2S)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]-1,3-benzothiazol-2-ylidene]benzamide
CID 93305696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 136525948) is 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc2oc(N3CCN(C(C)C(=O)NCC4CCCO4)CC3)nc2c1.
What is the InChIKey of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is QDLLYBVXDSGMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-5-6-18-17(12-14)22-20(27-18)24-9-7-23(8-10-24)15(2)19(25)21-13-16-4-3-11-26-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 136525948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).