N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine

C24H25N5O3 — CID 156541011

IUPACN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine
SMILESCCOc1ccccc1OC1CCCN(c2cncc(Nc3nc4ccccc4o3)n2)C1
InChIInChI=1S/C24H25N5O3/c1-2-30-20-11-5-6-12-21(20)31-17-8-7-13-29(16-17)23-15-25-14-22(27-23)28-24-26-18-9-3-4-10-19(18)32-24/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,26,27,28)
InChIKeySNSFDNVCWZGDLX-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.81
Rot. Bonds7

About N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 156541011) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine
PubChem CID156541011
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine
SMILESCCOc1ccccc1OC1CCCN(c2cncc(Nc3nc4ccccc4o3)n2)C1
InChIInChI=1S/C24H25N5O3/c1-2-30-20-11-5-6-12-21(20)31-17-8-7-13-29(16-17)23-15-25-14-22(27-23)28-24-26-18-9-3-4-10-19(18)32-24/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,26,27,28)
InChIKeySNSFDNVCWZGDLX-UHFFFAOYSA-N
XLogP4.81
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-oxazol-2-amine
CID 156541077
N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-[(3R)-3-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-2-amine
CID 156540969
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-phenyl-1,3-thiazol-2-amine
CID 156541491
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-6-methoxy-1,3-benzothiazol-2-amine
CID 156541286
2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]benzoic acid
CID 156541338
2-[3-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-2-methylpropanoic acid
CID 156540890
2-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenyl]acetic acid
CID 156541353
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
CID 156541554
1-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 175808002
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
CID 156541623
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501
4-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 156541147

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine (CID 156541011) is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine is CCOc1ccccc1OC1CCCN(c2cncc(Nc3nc4ccccc4o3)n2)C1.
What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is SNSFDNVCWZGDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-2-30-20-11-5-6-12-21(20)31-17-8-7-13-29(16-17)23-15-25-14-22(27-23)28-24-26-18-9-3-4-10-19(18)32-24/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,26,27,28).
What are the key properties of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine?
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 431.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 156541011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).