5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide

C23H25N5O5 — CID 66693677

IUPAC5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide
SMILESCC1CN=C(c2ccc(-c3cc(OCc4cnc(C(N)=O)cn4)cc(OC(C)CO)c3)[nH]2)O1
InChIInChI=1S/C23H25N5O5/c1-13-8-27-23(33-13)20-4-3-19(28-20)15-5-17(7-18(6-15)32-14(2)11-29)31-12-16-9-26-21(10-25-16)22(24)30/h3-7,9-10,13-14,28-29H,8,11-12H2,1-2H3,(H2,24,30)
InChIKeyQPKBCKRWVUBQFZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.07
Rot. Bonds9

About 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide

5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide (PubChem CID 66693677) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide
PubChem CID66693677
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide
SMILESCC1CN=C(c2ccc(-c3cc(OCc4cnc(C(N)=O)cn4)cc(OC(C)CO)c3)[nH]2)O1
InChIInChI=1S/C23H25N5O5/c1-13-8-27-23(33-13)20-4-3-19(28-20)15-5-17(7-18(6-15)32-14(2)11-29)31-12-16-9-26-21(10-25-16)22(24)30/h3-7,9-10,13-14,28-29H,8,11-12H2,1-2H3,(H2,24,30)
InChIKeyQPKBCKRWVUBQFZ-UHFFFAOYSA-N
XLogP2.07
TPSA144.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide (CID 66693677) is 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide is CC1CN=C(c2ccc(-c3cc(OCc4cnc(C(N)=O)cn4)cc(OC(C)CO)c3)[nH]2)O1.
What is the InChIKey of 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide?
The InChIKey is QPKBCKRWVUBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-13-8-27-23(33-13)20-4-3-19(28-20)15-5-17(7-18(6-15)32-14(2)11-29)31-12-16-9-26-21(10-25-16)22(24)30/h3-7,9-10,13-14,28-29H,8,11-12H2,1-2H3,(H2,24,30).
What are the key properties of 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide?
5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-hydroxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenoxy]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66693677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).