1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

C17H23N5O3 — CID 72919615

IUPAC1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCN1CCCC1
InChIInChI=1S/C17H23N5O3/c1-12-20-21-16(25-12)13-5-6-15(24-2)14(11-13)19-17(23)18-7-10-22-8-3-4-9-22/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,19,23)
InChIKeyBSRZHDGJESGADX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 72919615) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID72919615
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCN1CCCC1
InChIInChI=1S/C17H23N5O3/c1-12-20-21-16(25-12)13-5-6-15(24-2)14(11-13)19-17(23)18-7-10-22-8-3-4-9-22/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,19,23)
InChIKeyBSRZHDGJESGADX-UHFFFAOYSA-N
XLogP2.27
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 131912300
3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131925703
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72855924
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168650811
2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 92662715
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131947019
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]urea
CID 74240670
methyl 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]-4-methoxybenzoate
CID 125163717
1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-(2-morpholin-4-ylethyl)urea
CID 69173856

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea (CID 72919615) is 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea is COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCN1CCCC1.
What is the InChIKey of 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is BSRZHDGJESGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-20-21-16(25-12)13-5-6-15(24-2)14(11-13)19-17(23)18-7-10-22-8-3-4-9-22/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 345.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 72919615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).