2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide

C18H23N5O5 — CID 170602646

IUPAC2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide
SMILESC/N=C(\C(=O)NC(C(N)=O)C(C)O)c1cc(OCc2cnc(C)o2)ccc1N
InChIInChI=1S/C18H23N5O5/c1-9(24)15(17(20)25)23-18(26)16(21-3)13-6-11(4-5-14(13)19)27-8-12-7-22-10(2)28-12/h4-7,9,15,24H,8,19H2,1-3H3,(H2,20,25)(H,23,26)/b21-16-
InChIKeyHYWYYTXWXBUJDQ-PGMHBOJBSA-N
MW389.41 g/mol
LogP-0.09
Rot. Bonds8

About 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide

2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide (PubChem CID 170602646) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide
PubChem CID170602646
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide
SMILESC/N=C(\C(=O)NC(C(N)=O)C(C)O)c1cc(OCc2cnc(C)o2)ccc1N
InChIInChI=1S/C18H23N5O5/c1-9(24)15(17(20)25)23-18(26)16(21-3)13-6-11(4-5-14(13)19)27-8-12-7-22-10(2)28-12/h4-7,9,15,24H,8,19H2,1-3H3,(H2,20,25)(H,23,26)/b21-16-
InChIKeyHYWYYTXWXBUJDQ-PGMHBOJBSA-N
XLogP-0.09
TPSA166.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide?
The IUPAC name of 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide (CID 170602646) is 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide.
What is the SMILES notation for 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide?
The canonical SMILES for 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide is C/N=C(\C(=O)NC(C(N)=O)C(C)O)c1cc(OCc2cnc(C)o2)ccc1N.
What is the InChIKey of 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide?
The InChIKey is HYWYYTXWXBUJDQ-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-9(24)15(17(20)25)23-18(26)16(21-3)13-6-11(4-5-14(13)19)27-8-12-7-22-10(2)28-12/h4-7,9,15,24H,8,19H2,1-3H3,(H2,20,25)(H,23,26)/b21-16-.
What are the key properties of 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide?
2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide has a molecular weight of 389.41 g/mol, XLogP of -0.09, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-amino-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-2-methyliminoacetyl]amino]-3-hydroxybutanamide is sourced from PubChem (CID 170602646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).