3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide

C22H26N4O2 — CID 29211803

IUPAC3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C22H26N4O2/c1-16-20(15-26-13-11-25(12-14-26)10-9-21(23)27)24-22(28-16)19-8-4-6-17-5-2-3-7-18(17)19/h2-8H,9-15H2,1H3,(H2,23,27)
InChIKeyYSDCQUGMFXNAKL-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.80
Rot. Bonds6

About 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide

3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 29211803) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID29211803
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C22H26N4O2/c1-16-20(15-26-13-11-25(12-14-26)10-9-21(23)27)24-22(28-16)19-8-4-6-17-5-2-3-7-18(17)19/h2-8H,9-15H2,1H3,(H2,23,27)
InChIKeyYSDCQUGMFXNAKL-UHFFFAOYSA-N
XLogP2.80
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one
CID 157186592
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 45168668
4-[[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 29259202
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
1-[(2-anthracen-9-yl-5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 154702903
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 70759381
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
N-[3-(azepan-1-yl)propyl]-1-[[5-methyl-2-(8-methylnaphthalen-1-yl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 126634770
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
2-(4-methoxy-2,3-dimethylphenyl)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 29211803) is 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide is Cc1oc(-c2cccc3ccccc23)nc1CN1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is YSDCQUGMFXNAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-20(15-26-13-11-25(12-14-26)10-9-21(23)27)24-22(28-16)19-8-4-6-17-5-2-3-7-18(17)19/h2-8H,9-15H2,1H3,(H2,23,27).
What are the key properties of 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide?
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 29211803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).