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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Related Compounds

(2S)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418064
(2R)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418061
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480641
2-[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methyliminoacetamide;2-fluoro-1-methyl-1λ5-stibacycloprop-3-en-1-amine
CID 170602715
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
CID 163380303
2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
CID 170416741
2-[2-amino-5-[(Z)-3-amino-2-sulfanylbut-2-enoxy]phenyl]-2-methyliminoacetamide
CID 170602800
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
CID 170602524
2-[[2-(2-amino-5-methoxyphenyl)-2-methyliminoacetyl]amino]-3-hydroxy-2-methylpropanamide
CID 170602626
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-(2,2-difluoroethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 170347640

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).