2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide

C18H23N5O2 — CID 51095081

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C18H23N5O2/c1-3-22(4-2)9-10-23-13-14(12-19-23)20-18(24)11-16-15-7-5-6-8-17(15)25-21-16/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24)
InChIKeyBZULLLRKMJKYOW-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.55
Rot. Bonds8

About 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide (PubChem CID 51095081) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
PubChem CID51095081
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)Cc2noc3ccccc23)cn1
InChIInChI=1S/C18H23N5O2/c1-3-22(4-2)9-10-23-13-14(12-19-23)20-18(24)11-16-15-7-5-6-8-17(15)25-21-16/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24)
InChIKeyBZULLLRKMJKYOW-UHFFFAOYSA-N
XLogP2.55
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CID 75430674
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55835660
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide (CID 51095081) is 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide is CCN(CC)CCn1cc(NC(=O)Cc2noc3ccccc23)cn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The InChIKey is BZULLLRKMJKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-22(4-2)9-10-23-13-14(12-19-23)20-18(24)11-16-15-7-5-6-8-17(15)25-21-16/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 51095081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).